smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000858126664 730417179 /nfs/dbraw/zinc/41/71/79/730417179.db2.gz FOETWMBUYDFRIT-JKSUJKDBSA-N 2 2 366.889 2.866 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1OC ZINC000858126664 730417180 /nfs/dbraw/zinc/41/71/80/730417180.db2.gz FOETWMBUYDFRIT-JKSUJKDBSA-N 2 2 366.889 2.866 20 30 FFEDLP C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000660573062 972257254 /nfs/dbraw/zinc/25/72/54/972257254.db2.gz GAQVMKGWSQRKHH-PXNSSMCTSA-N 2 2 362.562 2.979 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)[C@@H]1CC ZINC001087607160 968343582 /nfs/dbraw/zinc/34/35/82/968343582.db2.gz OJNHSANORVSWIS-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@@H]1CC ZINC001087607160 968343589 /nfs/dbraw/zinc/34/35/89/968343589.db2.gz OJNHSANORVSWIS-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)[C@@H]1CC ZINC001087607160 968343596 /nfs/dbraw/zinc/34/35/96/968343596.db2.gz OJNHSANORVSWIS-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)[C@@H]1CC ZINC001087607160 968343603 /nfs/dbraw/zinc/34/36/03/968343603.db2.gz OJNHSANORVSWIS-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112527766 975097348 /nfs/dbraw/zinc/09/73/48/975097348.db2.gz VGYVLFNPFYHJKT-KHYOSLBOSA-N 2 2 362.905 2.800 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001088822850 977187053 /nfs/dbraw/zinc/18/70/53/977187053.db2.gz KUBIHRYBSLSOMQ-BEFAXECRSA-N 2 2 366.465 2.606 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001088822850 977187062 /nfs/dbraw/zinc/18/70/62/977187062.db2.gz KUBIHRYBSLSOMQ-BEFAXECRSA-N 2 2 366.465 2.606 20 30 FFEDLP N#CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001137119320 1014557752 /nfs/dbraw/zinc/55/77/52/1014557752.db2.gz GSVGWEWFRNCFRO-RBBKRZOGSA-N 2 2 369.509 2.912 20 30 FFEDLP N#CCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001137119320 1014557761 /nfs/dbraw/zinc/55/77/61/1014557761.db2.gz GSVGWEWFRNCFRO-RBBKRZOGSA-N 2 2 369.509 2.912 20 30 FFEDLP N#CCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001137119320 1014557770 /nfs/dbraw/zinc/55/77/70/1014557770.db2.gz GSVGWEWFRNCFRO-RBBKRZOGSA-N 2 2 369.509 2.912 20 30 FFEDLP N#CCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001137119320 1014557780 /nfs/dbraw/zinc/55/77/80/1014557780.db2.gz GSVGWEWFRNCFRO-RBBKRZOGSA-N 2 2 369.509 2.912 20 30 FFEDLP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001105564004 982412406 /nfs/dbraw/zinc/41/24/06/982412406.db2.gz VGULSRWNOQEDSW-QWFCFKBJSA-N 2 2 368.525 2.688 20 30 FFEDLP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000083032281 984041592 /nfs/dbraw/zinc/04/15/92/984041592.db2.gz JFOQXYWIWSIWKI-RHSMWYFYSA-N 2 2 370.522 2.923 20 30 FFEDLP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000083032281 984041597 /nfs/dbraw/zinc/04/15/97/984041597.db2.gz JFOQXYWIWSIWKI-RHSMWYFYSA-N 2 2 370.522 2.923 20 30 FFEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213368 989967894 /nfs/dbraw/zinc/96/78/94/989967894.db2.gz UCQLCVCXPQJYQZ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213368 989967903 /nfs/dbraw/zinc/96/79/03/989967903.db2.gz UCQLCVCXPQJYQZ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001089642124 991228857 /nfs/dbraw/zinc/22/88/57/991228857.db2.gz BQLADDNHQQSOLO-GUDVDZBRSA-N 2 2 370.541 2.947 20 30 FFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001089642124 991228866 /nfs/dbraw/zinc/22/88/66/991228866.db2.gz BQLADDNHQQSOLO-GUDVDZBRSA-N 2 2 370.541 2.947 20 30 FFEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000923565010 991257656 /nfs/dbraw/zinc/25/76/56/991257656.db2.gz BNIAEPWSFYMAEI-OALUTQOASA-N 2 2 368.525 2.707 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000923565010 991257665 /nfs/dbraw/zinc/25/76/65/991257665.db2.gz BNIAEPWSFYMAEI-OALUTQOASA-N 2 2 368.525 2.707 20 30 FFEDLP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001131536028 994379482 /nfs/dbraw/zinc/37/94/82/994379482.db2.gz RCCLKTVVBYXVAD-CTNGQTDRSA-N 2 2 369.509 2.629 20 30 FFEDLP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001054052605 1015936195 /nfs/dbraw/zinc/93/61/95/1015936195.db2.gz BXZVWSXEUXRSHS-VAMGGRTRSA-N 2 2 364.493 2.643 20 30 FFEDLP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001054052605 1015936201 /nfs/dbraw/zinc/93/62/01/1015936201.db2.gz BXZVWSXEUXRSHS-VAMGGRTRSA-N 2 2 364.493 2.643 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001082774214 995470006 /nfs/dbraw/zinc/47/00/06/995470006.db2.gz HULQCSKQSXWVNC-VQIMIIECSA-N 2 2 365.481 2.515 20 30 FFEDLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096547149 1016081201 /nfs/dbraw/zinc/08/12/01/1016081201.db2.gz HMLUBPJJEJOPGD-AABGKKOBSA-N 2 2 371.912 2.509 20 30 FFEDLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096547149 1016081213 /nfs/dbraw/zinc/08/12/13/1016081213.db2.gz HMLUBPJJEJOPGD-AABGKKOBSA-N 2 2 371.912 2.509 20 30 FFEDLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cncc(C#N)c3)CC[C@@H]21 ZINC001144080469 997999355 /nfs/dbraw/zinc/99/93/55/997999355.db2.gz NESYKQOFIZLBJE-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cncc(C#N)c3)CC[C@@H]21 ZINC001144080469 997999363 /nfs/dbraw/zinc/99/93/63/997999363.db2.gz NESYKQOFIZLBJE-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cncc(C#N)c3)CC[C@@H]21 ZINC001144080469 997999380 /nfs/dbraw/zinc/99/93/80/997999380.db2.gz NESYKQOFIZLBJE-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cncc(C#N)c3)CC[C@@H]21 ZINC001144080469 997999389 /nfs/dbraw/zinc/99/93/89/997999389.db2.gz NESYKQOFIZLBJE-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001144157266 998070942 /nfs/dbraw/zinc/07/09/42/998070942.db2.gz AUWDMKNPFVPELF-UHFFFAOYSA-N 2 2 368.506 2.882 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001144157266 998070950 /nfs/dbraw/zinc/07/09/50/998070950.db2.gz AUWDMKNPFVPELF-UHFFFAOYSA-N 2 2 368.506 2.882 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001109460831 1000518685 /nfs/dbraw/zinc/51/86/85/1000518685.db2.gz BHXIUQDEROQMNO-JYBIWHBTSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001109460831 1000518689 /nfs/dbraw/zinc/51/86/89/1000518689.db2.gz BHXIUQDEROQMNO-JYBIWHBTSA-N 2 2 356.514 2.913 20 30 FFEDLP C=C(C[NH+](C)C)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001147478691 1000900505 /nfs/dbraw/zinc/90/05/05/1000900505.db2.gz RSOHXGMFOOAINU-UHFFFAOYSA-N 2 2 373.545 2.844 20 30 FFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001112556679 1001466985 /nfs/dbraw/zinc/46/69/85/1001466985.db2.gz JIQMHOBFELNBBG-UWJYYQICSA-N 2 2 365.481 2.675 20 30 FFEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001095498948 1016510655 /nfs/dbraw/zinc/51/06/55/1016510655.db2.gz KLYMJICLEUGDIY-FCLVOEFKSA-N 2 2 372.538 2.716 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095498948 1016510668 /nfs/dbraw/zinc/51/06/68/1016510668.db2.gz KLYMJICLEUGDIY-FCLVOEFKSA-N 2 2 372.538 2.716 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095498948 1016510679 /nfs/dbraw/zinc/51/06/79/1016510679.db2.gz KLYMJICLEUGDIY-FCLVOEFKSA-N 2 2 372.538 2.716 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086595878 1002604660 /nfs/dbraw/zinc/60/46/60/1002604660.db2.gz ZCAHXWDLDZOJKH-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086595878 1002604665 /nfs/dbraw/zinc/60/46/65/1002604665.db2.gz ZCAHXWDLDZOJKH-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001186189261 1003212761 /nfs/dbraw/zinc/21/27/61/1003212761.db2.gz LGEGTVMAGLESIE-UYAOXDASSA-N 2 2 370.472 2.820 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001186189261 1003212770 /nfs/dbraw/zinc/21/27/70/1003212770.db2.gz LGEGTVMAGLESIE-UYAOXDASSA-N 2 2 370.472 2.820 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001186203237 1003222462 /nfs/dbraw/zinc/22/24/62/1003222462.db2.gz IBDSQPCKZFQVFO-UYAOXDASSA-N 2 2 370.472 2.820 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001186203237 1003222464 /nfs/dbraw/zinc/22/24/64/1003222464.db2.gz IBDSQPCKZFQVFO-UYAOXDASSA-N 2 2 370.472 2.820 20 30 FFEDLP N#Cc1ccc(CN(C(=O)CCc2[nH]cc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001178000258 1008819065 /nfs/dbraw/zinc/81/90/65/1008819065.db2.gz GCGNQECQJHUILE-IYARVYRRSA-N 2 2 351.454 2.513 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450395 1011139099 /nfs/dbraw/zinc/13/90/99/1011139099.db2.gz OMJTXUULLOBAGK-YFVAEKQCSA-N 2 2 356.514 2.773 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450395 1011139103 /nfs/dbraw/zinc/13/91/03/1011139103.db2.gz OMJTXUULLOBAGK-YFVAEKQCSA-N 2 2 356.514 2.773 20 30 FFEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC001094481531 1011170129 /nfs/dbraw/zinc/17/01/29/1011170129.db2.gz QNVIXVFRFIPBHK-IFMALSPDSA-N 2 2 362.477 2.870 20 30 FFEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC001094481531 1011170131 /nfs/dbraw/zinc/17/01/31/1011170131.db2.gz QNVIXVFRFIPBHK-IFMALSPDSA-N 2 2 362.477 2.870 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC001094551229 1011275463 /nfs/dbraw/zinc/27/54/63/1011275463.db2.gz CSORJJYDJNTXPY-TZIWHRDSSA-N 2 2 365.481 2.818 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC001094551229 1011275479 /nfs/dbraw/zinc/27/54/79/1011275479.db2.gz CSORJJYDJNTXPY-TZIWHRDSSA-N 2 2 365.481 2.818 20 30 FFEDLP C[N@@H+]1CCc2c(C#N)c(Nc3ccc(C[NH+]4CC(O)C4)cc3)sc2C1 ZINC001212665302 1011850016 /nfs/dbraw/zinc/85/00/16/1011850016.db2.gz HCZSRPOUXQMTPK-UHFFFAOYSA-N 2 2 354.479 2.528 20 30 FFEDLP C[N@H+]1CCc2c(C#N)c(Nc3ccc(C[NH+]4CC(O)C4)cc3)sc2C1 ZINC001212665302 1011850029 /nfs/dbraw/zinc/85/00/29/1011850029.db2.gz HCZSRPOUXQMTPK-UHFFFAOYSA-N 2 2 354.479 2.528 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C[C@H]1C#N ZINC001172989129 1012157204 /nfs/dbraw/zinc/15/72/04/1012157204.db2.gz DWXTTWQBYMSYSI-IRXDYDNUSA-N 2 2 359.474 2.812 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001097248026 1017229361 /nfs/dbraw/zinc/22/93/61/1017229361.db2.gz QDPZZLFIGKUHQU-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001097248026 1017229371 /nfs/dbraw/zinc/22/93/71/1017229371.db2.gz QDPZZLFIGKUHQU-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001097248026 1017229377 /nfs/dbraw/zinc/22/93/77/1017229377.db2.gz QDPZZLFIGKUHQU-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001097248026 1017229383 /nfs/dbraw/zinc/22/93/83/1017229383.db2.gz QDPZZLFIGKUHQU-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)c1 ZINC001097444443 1017469297 /nfs/dbraw/zinc/46/92/97/1017469297.db2.gz ZQLOSAKGAJIMMW-NRSPTQNISA-N 2 2 371.444 2.741 20 30 FFEDLP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)c1 ZINC001097444443 1017469299 /nfs/dbraw/zinc/46/92/99/1017469299.db2.gz ZQLOSAKGAJIMMW-NRSPTQNISA-N 2 2 371.444 2.741 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058926 1021686390 /nfs/dbraw/zinc/68/63/90/1021686390.db2.gz PKHYXQAHXGDHQZ-YJBOKZPZSA-N 2 2 350.894 2.730 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058926 1021686392 /nfs/dbraw/zinc/68/63/92/1021686392.db2.gz PKHYXQAHXGDHQZ-YJBOKZPZSA-N 2 2 350.894 2.730 20 30 FFEDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000192355781 1024091959 /nfs/dbraw/zinc/09/19/59/1024091959.db2.gz XJZWWPJFEBICEL-NRFANRHFSA-N 2 2 365.477 2.948 20 30 FFEDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000192355781 1024091971 /nfs/dbraw/zinc/09/19/71/1024091971.db2.gz XJZWWPJFEBICEL-NRFANRHFSA-N 2 2 365.477 2.948 20 30 FFEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001103603125 1027765789 /nfs/dbraw/zinc/76/57/89/1027765789.db2.gz NLBCSHWSDHNIMO-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001103603125 1027765803 /nfs/dbraw/zinc/76/58/03/1027765803.db2.gz NLBCSHWSDHNIMO-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001104194679 1028654768 /nfs/dbraw/zinc/65/47/68/1028654768.db2.gz SHAMOYFKXSZBTB-VQIMIIECSA-N 2 2 370.497 2.533 20 30 FFEDLP Cc1[nH+]c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)ccc1CC#N ZINC001165910680 1030167871 /nfs/dbraw/zinc/16/78/71/1030167871.db2.gz IQCGOGDXLXVBIQ-UHFFFAOYSA-N 2 2 350.470 2.705 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1F ZINC001205663904 1031916535 /nfs/dbraw/zinc/91/65/35/1031916535.db2.gz GHTVQKAZMDNCBC-FUHWJXTLSA-N 2 2 356.445 2.642 20 30 FFEDLP N#Cc1ccc(-c2ccccc2NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)nc1 ZINC001219422945 1033641181 /nfs/dbraw/zinc/64/11/81/1033641181.db2.gz SKSQQJRRDUKRLN-GOSISDBHSA-N 2 2 357.417 2.831 20 30 FFEDLP C=CCc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](CCOC)C3)c1O ZINC001138627156 1034478627 /nfs/dbraw/zinc/47/86/27/1034478627.db2.gz YFYMNYDBCZSGIG-QFIPXVFZSA-N 2 2 374.525 2.682 20 30 FFEDLP C=CCc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](CCOC)C3)c1O ZINC001138627156 1034478632 /nfs/dbraw/zinc/47/86/32/1034478632.db2.gz YFYMNYDBCZSGIG-QFIPXVFZSA-N 2 2 374.525 2.682 20 30 FFEDLP C=CCc1cccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)c1O ZINC001138627156 1034478635 /nfs/dbraw/zinc/47/86/35/1034478635.db2.gz YFYMNYDBCZSGIG-QFIPXVFZSA-N 2 2 374.525 2.682 20 30 FFEDLP N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)ccc1F ZINC001226672154 1034780856 /nfs/dbraw/zinc/78/08/56/1034780856.db2.gz PXFQTPDZFDAFSM-RTBURBONSA-N 2 2 369.444 2.570 20 30 FFEDLP N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)ccc1F ZINC001226672154 1034780869 /nfs/dbraw/zinc/78/08/69/1034780869.db2.gz PXFQTPDZFDAFSM-RTBURBONSA-N 2 2 369.444 2.570 20 30 FFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001221656354 1034955593 /nfs/dbraw/zinc/95/55/93/1034955593.db2.gz MBSIRJMRDLQVOO-GUDVDZBRSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001221656354 1034955597 /nfs/dbraw/zinc/95/55/97/1034955597.db2.gz MBSIRJMRDLQVOO-GUDVDZBRSA-N 2 2 358.530 2.949 20 30 FFEDLP C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001139358604 1035071438 /nfs/dbraw/zinc/07/14/38/1035071438.db2.gz QMFTXEURKSVNLJ-OAQYLSRUSA-N 2 2 350.466 2.873 20 30 FFEDLP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001139358604 1035071446 /nfs/dbraw/zinc/07/14/46/1035071446.db2.gz QMFTXEURKSVNLJ-OAQYLSRUSA-N 2 2 350.466 2.873 20 30 FFEDLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC001229301402 1036602820 /nfs/dbraw/zinc/60/28/20/1036602820.db2.gz PFUHOXMFKDTJGN-QZTJIDSGSA-N 2 2 370.884 2.674 20 30 FFEDLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(C#N)s2)CC3)n(C)n1 ZINC001278926049 1038468006 /nfs/dbraw/zinc/46/80/06/1038468006.db2.gz YFBQCDMMTKRZGU-UHFFFAOYSA-N 2 2 355.511 2.760 20 30 FFEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)C1=O ZINC001256590082 1038572763 /nfs/dbraw/zinc/57/27/63/1038572763.db2.gz RWFSOAREAMTWMF-JOCHJYFZSA-N 2 2 368.525 2.547 20 30 FFEDLP C=CCN1CC[C@@]2(CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)C1=O ZINC001256590082 1038572766 /nfs/dbraw/zinc/57/27/66/1038572766.db2.gz RWFSOAREAMTWMF-JOCHJYFZSA-N 2 2 368.525 2.547 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)COc3ccccc3)CC2)c1 ZINC001251251581 1039033299 /nfs/dbraw/zinc/03/32/99/1039033299.db2.gz YKWTVRGEQCCNSY-OAQYLSRUSA-N 2 2 365.477 2.552 20 30 FFEDLP CCCCCCCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001252125595 1039439752 /nfs/dbraw/zinc/43/97/52/1039439752.db2.gz FEWKRCGVSNBPSZ-IBGZPJMESA-N 2 2 367.578 2.774 20 30 FFEDLP CCCCCCCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001252125595 1039439762 /nfs/dbraw/zinc/43/97/62/1039439762.db2.gz FEWKRCGVSNBPSZ-IBGZPJMESA-N 2 2 367.578 2.774 20 30 FFEDLP C=CCOc1ccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c(F)c1 ZINC001247867475 1040006320 /nfs/dbraw/zinc/00/63/20/1040006320.db2.gz GPDBDGGKGNUVMX-MRXNPFEDSA-N 2 2 358.417 2.987 20 30 FFEDLP C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001253234886 1040060430 /nfs/dbraw/zinc/06/04/30/1040060430.db2.gz GNZWKGJHMIYGIH-IBGZPJMESA-N 2 2 365.562 2.550 20 30 FFEDLP C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001253234886 1040060443 /nfs/dbraw/zinc/06/04/43/1040060443.db2.gz GNZWKGJHMIYGIH-IBGZPJMESA-N 2 2 365.562 2.550 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001264592545 1042730499 /nfs/dbraw/zinc/73/04/99/1042730499.db2.gz KRBVRAKEBHAATG-WOJBJXKFSA-N 2 2 352.482 2.824 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001264592545 1042730501 /nfs/dbraw/zinc/73/05/01/1042730501.db2.gz KRBVRAKEBHAATG-WOJBJXKFSA-N 2 2 352.482 2.824 20 30 FFEDLP Cc1csc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)n1 ZINC001279326421 1043001699 /nfs/dbraw/zinc/00/16/99/1043001699.db2.gz DQBOGMJUUJXGLB-UHFFFAOYSA-N 2 2 355.511 2.760 20 30 FFEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1sc(N)c(C#N)c1Cl ZINC001279370230 1043032590 /nfs/dbraw/zinc/03/25/90/1043032590.db2.gz KXRFEVIAVVHJOW-YHWZYXNKSA-N 2 2 367.950 2.502 20 30 FFEDLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1sc(N)c(C#N)c1Cl ZINC001279370230 1043032596 /nfs/dbraw/zinc/03/25/96/1043032596.db2.gz KXRFEVIAVVHJOW-YHWZYXNKSA-N 2 2 367.950 2.502 20 30 FFEDLP N#Cc1cc(F)c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(F)c1 ZINC001279392366 1043047852 /nfs/dbraw/zinc/04/78/52/1043047852.db2.gz SNGZKPBEIVZTMG-UHFFFAOYSA-N 2 2 357.408 2.658 20 30 FFEDLP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cc(C#N)n(C)c4)(C2)CCC3)no1 ZINC001279403598 1043063075 /nfs/dbraw/zinc/06/30/75/1043063075.db2.gz VIMBRQRVMPDPJI-UXHICEINSA-N 2 2 353.470 2.918 20 30 FFEDLP N#Cc1ccc(F)c(N2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001279766855 1043611021 /nfs/dbraw/zinc/61/10/21/1043611021.db2.gz DISLELKZVKJRCW-HDICACEKSA-N 2 2 353.445 2.742 20 30 FFEDLP N#Cc1ccc(F)c(N2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)c1 ZINC001279766855 1043611032 /nfs/dbraw/zinc/61/10/32/1043611032.db2.gz DISLELKZVKJRCW-HDICACEKSA-N 2 2 353.445 2.742 20 30 FFEDLP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001326599221 1046995075 /nfs/dbraw/zinc/99/50/75/1046995075.db2.gz PTGBALNVJRGWLD-KZNAEPCWSA-N 2 2 356.514 2.803 20 30 FFEDLP C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001506938471 1059579445 /nfs/dbraw/zinc/57/94/45/1059579445.db2.gz SBAGPVIICJICAU-KBRIMQKVSA-N 2 2 371.510 2.531 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001355943017 1060747002 /nfs/dbraw/zinc/74/70/02/1060747002.db2.gz ZRYOLEQEBXVVRH-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001355943017 1060747015 /nfs/dbraw/zinc/74/70/15/1060747015.db2.gz ZRYOLEQEBXVVRH-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP C#CC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001460760863 1061092733 /nfs/dbraw/zinc/09/27/33/1061092733.db2.gz RTMPZQLBXOXLGX-HXUWFJFHSA-N 2 2 367.537 2.799 20 30 FFEDLP C#CC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001460760863 1061092742 /nfs/dbraw/zinc/09/27/42/1061092742.db2.gz RTMPZQLBXOXLGX-HXUWFJFHSA-N 2 2 367.537 2.799 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000057152932 507187278 /nfs/dbraw/zinc/18/72/78/507187278.db2.gz HPXZBNDJOWSPHX-HNNXBMFYSA-N 2 2 360.527 2.659 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000057152932 507187287 /nfs/dbraw/zinc/18/72/87/507187287.db2.gz HPXZBNDJOWSPHX-HNNXBMFYSA-N 2 2 360.527 2.659 20 30 FFEDLP N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(n3cc[nH+]c3)CC1)CCC2 ZINC000109793816 507987403 /nfs/dbraw/zinc/98/74/03/507987403.db2.gz GUIQBYXVNSDPAC-UHFFFAOYSA-N 2 2 369.494 2.971 20 30 FFEDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093147203 508124628 /nfs/dbraw/zinc/12/46/28/508124628.db2.gz OXIXJULJTJOBIF-NRFANRHFSA-N 2 2 370.541 2.971 20 30 FFEDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093147203 508124630 /nfs/dbraw/zinc/12/46/30/508124630.db2.gz OXIXJULJTJOBIF-NRFANRHFSA-N 2 2 370.541 2.971 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000112680536 508208860 /nfs/dbraw/zinc/20/88/60/508208860.db2.gz DVISZOYJRPQATP-UHFFFAOYSA-N 2 2 363.893 2.701 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000112680536 508208863 /nfs/dbraw/zinc/20/88/63/508208863.db2.gz DVISZOYJRPQATP-UHFFFAOYSA-N 2 2 363.893 2.701 20 30 FFEDLP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1C ZINC000103482243 508314717 /nfs/dbraw/zinc/31/47/17/508314717.db2.gz FWQMFTZEQROFBT-UHFFFAOYSA-N 2 2 359.514 2.518 20 30 FFEDLP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115595857 508415404 /nfs/dbraw/zinc/41/54/04/508415404.db2.gz LMAXEAIQCNDOHA-HXUWFJFHSA-N 2 2 350.466 2.716 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150762174 508887702 /nfs/dbraw/zinc/88/77/02/508887702.db2.gz GXCYXWUQWSRXRP-QZTJIDSGSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150762174 508887706 /nfs/dbraw/zinc/88/77/06/508887706.db2.gz GXCYXWUQWSRXRP-QZTJIDSGSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150774374 508890195 /nfs/dbraw/zinc/89/01/95/508890195.db2.gz DAIMWGRMFRCEHD-XTBIFASLSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150774374 508890198 /nfs/dbraw/zinc/89/01/98/508890198.db2.gz DAIMWGRMFRCEHD-XTBIFASLSA-N 2 2 360.546 2.723 20 30 FFEDLP CCc1nc(CCNC(=[NH+]C)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000160072661 508934068 /nfs/dbraw/zinc/93/40/68/508934068.db2.gz WBSQPIDRANNUNV-HOCLYGCPSA-N 2 2 360.531 2.603 20 30 FFEDLP C=CCOc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752238 509212713 /nfs/dbraw/zinc/21/27/13/509212713.db2.gz QCEDWFMYCOCZNU-UHFFFAOYSA-N 2 2 371.525 2.932 20 30 FFEDLP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000182912046 509492966 /nfs/dbraw/zinc/49/29/66/509492966.db2.gz GEEFCOVHWGMFOQ-AHRSYUTCSA-N 2 2 363.465 2.833 20 30 FFEDLP C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000182912046 509492975 /nfs/dbraw/zinc/49/29/75/509492975.db2.gz GEEFCOVHWGMFOQ-AHRSYUTCSA-N 2 2 363.465 2.833 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971575 509882667 /nfs/dbraw/zinc/88/26/67/509882667.db2.gz ROSVFENBLZJBLS-GOSISDBHSA-N 2 2 371.529 2.628 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971575 509882674 /nfs/dbraw/zinc/88/26/74/509882674.db2.gz ROSVFENBLZJBLS-GOSISDBHSA-N 2 2 371.529 2.628 20 30 FFEDLP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1C#N ZINC000174278966 510037686 /nfs/dbraw/zinc/03/76/86/510037686.db2.gz SYNJFJHICRGEOO-UHFFFAOYSA-N 2 2 351.450 2.689 20 30 FFEDLP CCS[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000268702108 510078641 /nfs/dbraw/zinc/07/86/41/510078641.db2.gz FZFOVGJWHBTYHO-LBPRGKRZSA-N 2 2 363.487 2.782 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181061497 510264019 /nfs/dbraw/zinc/26/40/19/510264019.db2.gz YXASNZDYJRQAMN-ZDUSSCGKSA-N 2 2 357.483 2.654 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181061497 510264030 /nfs/dbraw/zinc/26/40/30/510264030.db2.gz YXASNZDYJRQAMN-ZDUSSCGKSA-N 2 2 357.483 2.654 20 30 FFEDLP CO[C@@H]1CC[N@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@@H](C)C1 ZINC000330274690 510953572 /nfs/dbraw/zinc/95/35/72/510953572.db2.gz KNBRGXJHUCPKTL-DZGCQCFKSA-N 2 2 352.504 2.826 20 30 FFEDLP CO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@@H](C)C1 ZINC000330274690 510953576 /nfs/dbraw/zinc/95/35/76/510953576.db2.gz KNBRGXJHUCPKTL-DZGCQCFKSA-N 2 2 352.504 2.826 20 30 FFEDLP C[NH+](CCC[N@@H+](C)CCC(=O)Nc1ccccc1C#N)Cc1ccco1 ZINC000285630672 510986005 /nfs/dbraw/zinc/98/60/05/510986005.db2.gz LGWQQXLYCSPHSW-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP C[NH+](CCC[N@H+](C)CCC(=O)Nc1ccccc1C#N)Cc1ccco1 ZINC000285630672 510986009 /nfs/dbraw/zinc/98/60/09/510986009.db2.gz LGWQQXLYCSPHSW-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC(=O)Nc1ccccc1C#N ZINC000285630672 510986013 /nfs/dbraw/zinc/98/60/13/510986013.db2.gz LGWQQXLYCSPHSW-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC(=O)Nc1ccccc1C#N ZINC000285630672 510986015 /nfs/dbraw/zinc/98/60/15/510986015.db2.gz LGWQQXLYCSPHSW-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP COCC[C@@H]([NH2+]CC#CC[NH2+][C@@H](CCOC)c1ccco1)c1ccco1 ZINC000284309946 511678115 /nfs/dbraw/zinc/67/81/15/511678115.db2.gz ZUHDSHRFTCCYFW-HDICACEKSA-N 2 2 360.454 2.911 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cc(C#N)ccc3F)CCC[NH+]2C)cn1 ZINC000328635694 511902567 /nfs/dbraw/zinc/90/25/67/511902567.db2.gz NOZWBECBCHLSSJ-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cc(C#N)ccc3F)CCC[NH+]2C)cn1 ZINC000328635694 511902570 /nfs/dbraw/zinc/90/25/70/511902570.db2.gz NOZWBECBCHLSSJ-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cc(C#N)ccc3F)CCC[N@@H+]2C)cn1 ZINC000328635694 511902574 /nfs/dbraw/zinc/90/25/74/511902574.db2.gz NOZWBECBCHLSSJ-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cc(C#N)ccc3F)CCC[N@H+]2C)cn1 ZINC000328635694 511902579 /nfs/dbraw/zinc/90/25/79/511902579.db2.gz NOZWBECBCHLSSJ-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329155983 511994578 /nfs/dbraw/zinc/99/45/78/511994578.db2.gz VNABSWVJINRONR-UHFFFAOYSA-N 2 2 368.485 2.815 20 30 FFEDLP C=CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000411372312 512603996 /nfs/dbraw/zinc/60/39/96/512603996.db2.gz UUNXFANIMZQJNR-HXUWFJFHSA-N 2 2 362.539 2.848 20 30 FFEDLP C=CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000411372312 512604001 /nfs/dbraw/zinc/60/40/01/512604001.db2.gz UUNXFANIMZQJNR-HXUWFJFHSA-N 2 2 362.539 2.848 20 30 FFEDLP C[C@@](C#N)(NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374520785 512871441 /nfs/dbraw/zinc/87/14/41/512871441.db2.gz NSPWQUWADGJCSC-UGKGYDQZSA-N 2 2 368.525 2.685 20 30 FFEDLP C[C@@](C#N)(NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374520785 512871447 /nfs/dbraw/zinc/87/14/47/512871447.db2.gz NSPWQUWADGJCSC-UGKGYDQZSA-N 2 2 368.525 2.685 20 30 FFEDLP C[C@](C#N)(NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374520784 512871979 /nfs/dbraw/zinc/87/19/79/512871979.db2.gz NSPWQUWADGJCSC-SIKLNZKXSA-N 2 2 368.525 2.685 20 30 FFEDLP C[C@](C#N)(NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374520784 512871982 /nfs/dbraw/zinc/87/19/82/512871982.db2.gz NSPWQUWADGJCSC-SIKLNZKXSA-N 2 2 368.525 2.685 20 30 FFEDLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1C#N ZINC000390888223 512913109 /nfs/dbraw/zinc/91/31/09/512913109.db2.gz ZNVBZSIELLTWEV-OAQYLSRUSA-N 2 2 365.477 2.948 20 30 FFEDLP C=CCC(C)(C)CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422207683 513638220 /nfs/dbraw/zinc/63/82/20/513638220.db2.gz RKQXEAGJSDWCJY-UHFFFAOYSA-N 2 2 350.551 2.790 20 30 FFEDLP C=CCC(C)(C)CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422207683 513638226 /nfs/dbraw/zinc/63/82/26/513638226.db2.gz RKQXEAGJSDWCJY-UHFFFAOYSA-N 2 2 350.551 2.790 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499934263 515522051 /nfs/dbraw/zinc/52/20/51/515522051.db2.gz GORDEZJUHLYFHO-QGZVFWFLSA-N 2 2 360.477 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499934263 515522059 /nfs/dbraw/zinc/52/20/59/515522059.db2.gz GORDEZJUHLYFHO-QGZVFWFLSA-N 2 2 360.477 2.879 20 30 FFEDLP N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000459403166 515528077 /nfs/dbraw/zinc/52/80/77/515528077.db2.gz GKUZZQLNZDTOHB-UHFFFAOYSA-N 2 2 372.469 2.791 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(F)ccc1C#N ZINC000511856447 516056027 /nfs/dbraw/zinc/05/60/27/516056027.db2.gz XCVZSJPERSBFJJ-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(F)ccc1C#N ZINC000511856447 516056035 /nfs/dbraw/zinc/05/60/35/516056035.db2.gz XCVZSJPERSBFJJ-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512252015 516212440 /nfs/dbraw/zinc/21/24/40/516212440.db2.gz JDQDZBULLLROGB-QFIPXVFZSA-N 2 2 353.510 2.785 20 30 FFEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512252015 516212446 /nfs/dbraw/zinc/21/24/46/516212446.db2.gz JDQDZBULLLROGB-QFIPXVFZSA-N 2 2 353.510 2.785 20 30 FFEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512252015 516212455 /nfs/dbraw/zinc/21/24/55/516212455.db2.gz JDQDZBULLLROGB-QFIPXVFZSA-N 2 2 353.510 2.785 20 30 FFEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512252015 516212461 /nfs/dbraw/zinc/21/24/61/516212461.db2.gz JDQDZBULLLROGB-QFIPXVFZSA-N 2 2 353.510 2.785 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000518361633 516627928 /nfs/dbraw/zinc/62/79/28/516627928.db2.gz DBJYUOMZCMZKKA-LJQANCHMSA-N 2 2 355.482 2.520 20 30 FFEDLP C[N@H+](CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000558681683 516883525 /nfs/dbraw/zinc/88/35/25/516883525.db2.gz XHDRWZWNRXMWQR-UHFFFAOYSA-N 2 2 368.525 2.857 20 30 FFEDLP C[N@@H+](CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000558681683 516883531 /nfs/dbraw/zinc/88/35/31/516883531.db2.gz XHDRWZWNRXMWQR-UHFFFAOYSA-N 2 2 368.525 2.857 20 30 FFEDLP Cc1ccc([C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[NH+]2CCCC2)cc1 ZINC000556205975 517316994 /nfs/dbraw/zinc/31/69/94/517316994.db2.gz IYRFBTSMKNEKIP-HXUWFJFHSA-N 2 2 360.465 2.836 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866289 517648053 /nfs/dbraw/zinc/64/80/53/517648053.db2.gz YCEKLGRKDLPORD-JSGCOSHPSA-N 2 2 357.845 2.762 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866289 517648059 /nfs/dbraw/zinc/64/80/59/517648059.db2.gz YCEKLGRKDLPORD-JSGCOSHPSA-N 2 2 357.845 2.762 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)COc3ccccc3)CC2)cc1 ZINC000539499084 518078392 /nfs/dbraw/zinc/07/83/92/518078392.db2.gz DYEUMGBFIHRHKE-OAQYLSRUSA-N 2 2 365.477 2.552 20 30 FFEDLP C[NH+](C)C1CC[NH+](CCNc2cc(Br)c(C#N)cc2F)CC1 ZINC000563898663 518220715 /nfs/dbraw/zinc/22/07/15/518220715.db2.gz NWQHIMCNAZLOCO-UHFFFAOYSA-N 2 2 369.282 2.898 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000573972439 518925984 /nfs/dbraw/zinc/92/59/84/518925984.db2.gz LGORKKPHQBOJLQ-YJBOKZPZSA-N 2 2 360.458 2.693 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000573972439 518925987 /nfs/dbraw/zinc/92/59/87/518925987.db2.gz LGORKKPHQBOJLQ-YJBOKZPZSA-N 2 2 360.458 2.693 20 30 FFEDLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nncn1C ZINC000580378521 519142627 /nfs/dbraw/zinc/14/26/27/519142627.db2.gz OSCXIZLWGJEBAP-LJQANCHMSA-N 2 2 352.486 2.638 20 30 FFEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000583378712 519218466 /nfs/dbraw/zinc/21/84/66/519218466.db2.gz IESQQZGTNZEPSW-CVEARBPZSA-N 2 2 366.868 2.753 20 30 FFEDLP N#Cc1ccccc1OC1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000577856993 519292651 /nfs/dbraw/zinc/29/26/51/519292651.db2.gz WWCFYHRZZKNIHM-FMFRFZGHSA-N 2 2 355.482 2.605 20 30 FFEDLP C[NH+]1CCC(CNC(=O)CC2(C#N)CCCCC2)([NH+]2CCCCC2)CC1 ZINC000597302585 519944743 /nfs/dbraw/zinc/94/47/43/519944743.db2.gz ANGNEBGRBQJPHL-UHFFFAOYSA-N 2 2 360.546 2.917 20 30 FFEDLP N#CC1(c2ccc(C[NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000594915945 520215679 /nfs/dbraw/zinc/21/56/79/520215679.db2.gz YBUHSXIUKSAWMI-JOCHJYFZSA-N 2 2 361.489 2.751 20 30 FFEDLP N#CC1(c2ccc(C[NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000594915945 520215688 /nfs/dbraw/zinc/21/56/88/520215688.db2.gz YBUHSXIUKSAWMI-JOCHJYFZSA-N 2 2 361.489 2.751 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508848 520519594 /nfs/dbraw/zinc/51/95/94/520519594.db2.gz YRPZZKQUFZOOGB-UWJYYQICSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508848 520519601 /nfs/dbraw/zinc/51/96/01/520519601.db2.gz YRPZZKQUFZOOGB-UWJYYQICSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595508848 520519608 /nfs/dbraw/zinc/51/96/08/520519608.db2.gz YRPZZKQUFZOOGB-UWJYYQICSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595508848 520519612 /nfs/dbraw/zinc/51/96/12/520519612.db2.gz YRPZZKQUFZOOGB-UWJYYQICSA-N 2 2 372.488 2.879 20 30 FFEDLP N#Cc1cccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000601101307 520636243 /nfs/dbraw/zinc/63/62/43/520636243.db2.gz XDNYOKGZBHEICB-UHFFFAOYSA-N 2 2 351.450 2.559 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619056324 521374605 /nfs/dbraw/zinc/37/46/05/521374605.db2.gz VEKRUWZRVNQFTF-IERDGZPVSA-N 2 2 371.529 2.842 20 30 FFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000602637851 521451444 /nfs/dbraw/zinc/45/14/44/521451444.db2.gz OPGYJTZPASWHFO-TZIWHRDSSA-N 2 2 371.525 2.966 20 30 FFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000602637851 521451452 /nfs/dbraw/zinc/45/14/52/521451452.db2.gz OPGYJTZPASWHFO-TZIWHRDSSA-N 2 2 371.525 2.966 20 30 FFEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N(C)Cc1cccn1C ZINC000261986528 729656614 /nfs/dbraw/zinc/65/66/14/729656614.db2.gz QFMDTJWLMUZDOL-HNNXBMFYSA-N 2 2 359.543 2.541 20 30 FFEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N(C)Cc1cccn1C ZINC000261986528 729656616 /nfs/dbraw/zinc/65/66/16/729656616.db2.gz QFMDTJWLMUZDOL-HNNXBMFYSA-N 2 2 359.543 2.541 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000858126661 730417200 /nfs/dbraw/zinc/41/72/00/730417200.db2.gz FOETWMBUYDFRIT-CVEARBPZSA-N 2 2 366.889 2.866 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OC ZINC000858126661 730417201 /nfs/dbraw/zinc/41/72/01/730417201.db2.gz FOETWMBUYDFRIT-CVEARBPZSA-N 2 2 366.889 2.866 20 30 FFEDLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926422217 738614442 /nfs/dbraw/zinc/61/44/42/738614442.db2.gz DGWCPQXSAARQNB-HOTGVXAUSA-N 2 2 352.523 2.846 20 30 FFEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000834759433 745895469 /nfs/dbraw/zinc/89/54/69/745895469.db2.gz CAOQMYIJAHQIAW-AQNXPRMDSA-N 2 2 362.539 2.620 20 30 FFEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000834759433 745895473 /nfs/dbraw/zinc/89/54/73/745895473.db2.gz CAOQMYIJAHQIAW-AQNXPRMDSA-N 2 2 362.539 2.620 20 30 FFEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001104793863 970835155 /nfs/dbraw/zinc/83/51/55/970835155.db2.gz LXRJOXCSNJQMHO-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001087466214 964532933 /nfs/dbraw/zinc/53/29/33/964532933.db2.gz GXXBPZSVHSIGSB-WOJBJXKFSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001087466214 964532939 /nfs/dbraw/zinc/53/29/39/964532939.db2.gz GXXBPZSVHSIGSB-WOJBJXKFSA-N 2 2 371.500 2.607 20 30 FFEDLP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261994867 965174559 /nfs/dbraw/zinc/17/45/59/965174559.db2.gz SEOXRDGQKURGAA-SLFFLAALSA-N 3 2 374.577 2.852 20 30 FFEDLP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261994867 965174568 /nfs/dbraw/zinc/17/45/68/965174568.db2.gz SEOXRDGQKURGAA-SLFFLAALSA-N 3 2 374.577 2.852 20 30 FFEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262013385 965313577 /nfs/dbraw/zinc/31/35/77/965313577.db2.gz XEORNXQLPPZCEY-CADBVGFASA-N 3 2 360.550 2.604 20 30 FFEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262013385 965313598 /nfs/dbraw/zinc/31/35/98/965313598.db2.gz XEORNXQLPPZCEY-CADBVGFASA-N 3 2 360.550 2.604 20 30 FFEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001211633390 969086796 /nfs/dbraw/zinc/08/67/96/969086796.db2.gz YUDYCTMHOYQVLK-RBUKOAKNSA-N 2 2 358.445 2.555 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088748614 975751725 /nfs/dbraw/zinc/75/17/25/975751725.db2.gz NCOHJVWCTMHBEF-QRWLVFNGSA-N 2 2 359.433 2.599 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1C#N ZINC001088748614 975751731 /nfs/dbraw/zinc/75/17/31/975751731.db2.gz NCOHJVWCTMHBEF-QRWLVFNGSA-N 2 2 359.433 2.599 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088822860 977187540 /nfs/dbraw/zinc/18/75/40/977187540.db2.gz LBHPRLXNAKXCMW-XLIONFOSSA-N 2 2 365.477 2.586 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1CC#Cc1ccccc1 ZINC001088822860 977187543 /nfs/dbraw/zinc/18/75/43/977187543.db2.gz LBHPRLXNAKXCMW-XLIONFOSSA-N 2 2 365.477 2.586 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087443491 977589401 /nfs/dbraw/zinc/58/94/01/977589401.db2.gz OMHQPQSJHAVNDT-IPMKNSEASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087443491 977589407 /nfs/dbraw/zinc/58/94/07/977589407.db2.gz OMHQPQSJHAVNDT-IPMKNSEASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443491 977589411 /nfs/dbraw/zinc/58/94/11/977589411.db2.gz OMHQPQSJHAVNDT-IPMKNSEASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087443491 977589417 /nfs/dbraw/zinc/58/94/17/977589417.db2.gz OMHQPQSJHAVNDT-IPMKNSEASA-N 2 2 361.917 2.665 20 30 FFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CCC(c2ccccc2)CC1 ZINC000087510106 982923825 /nfs/dbraw/zinc/92/38/25/982923825.db2.gz FXDPGEJQQDRCFA-UHFFFAOYSA-N 2 2 368.529 2.878 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151200134 984208340 /nfs/dbraw/zinc/20/83/40/984208340.db2.gz XOYDJFPOWFKKOJ-KRWDZBQOSA-N 2 2 370.522 2.868 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088891928 985344662 /nfs/dbraw/zinc/34/46/62/985344662.db2.gz XNADOCMZQWUWNX-APWZRJJASA-N 2 2 365.481 2.657 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088891928 985344673 /nfs/dbraw/zinc/34/46/73/985344673.db2.gz XNADOCMZQWUWNX-APWZRJJASA-N 2 2 365.481 2.657 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673773623 989241977 /nfs/dbraw/zinc/24/19/77/989241977.db2.gz JKNZVCUMSULUJY-UHFFFAOYSA-N 2 2 355.486 2.525 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2[nH]nc3c2cccc3C)CC1 ZINC001137150409 1015788887 /nfs/dbraw/zinc/78/88/87/1015788887.db2.gz GUGHXUHGYMXLFR-UHFFFAOYSA-N 2 2 353.514 2.663 20 30 FFEDLP COC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000812831008 995546599 /nfs/dbraw/zinc/54/65/99/995546599.db2.gz AYTDNQAXQJSDBS-UHFFFAOYSA-N 2 2 355.482 2.844 20 30 FFEDLP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CC2)CC1 ZINC001000152289 1016247933 /nfs/dbraw/zinc/24/79/33/1016247933.db2.gz CPVNYLVPBXZKAD-IEBWSBKVSA-N 2 2 368.525 2.701 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]21 ZINC001085073781 998858254 /nfs/dbraw/zinc/85/82/54/998858254.db2.gz PNTSLCOECCDQSN-XLIONFOSSA-N 2 2 365.481 2.770 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]21 ZINC001085073781 998858256 /nfs/dbraw/zinc/85/82/56/998858256.db2.gz PNTSLCOECCDQSN-XLIONFOSSA-N 2 2 365.481 2.770 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001085204937 999159682 /nfs/dbraw/zinc/15/96/82/999159682.db2.gz SBLAFCJCGZUNHK-CKEIUWERSA-N 2 2 365.909 2.560 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001085204937 999159685 /nfs/dbraw/zinc/15/96/85/999159685.db2.gz SBLAFCJCGZUNHK-CKEIUWERSA-N 2 2 365.909 2.560 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001085431195 999513735 /nfs/dbraw/zinc/51/37/35/999513735.db2.gz VDACXRMDJVAFFG-HZPDHXFCSA-N 2 2 367.946 2.876 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC001085431195 999513738 /nfs/dbraw/zinc/51/37/38/999513738.db2.gz VDACXRMDJVAFFG-HZPDHXFCSA-N 2 2 367.946 2.876 20 30 FFEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001096607572 1016346122 /nfs/dbraw/zinc/34/61/22/1016346122.db2.gz DUGPHTXHDXINKO-FCLVOEFKSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001096607572 1016346135 /nfs/dbraw/zinc/34/61/35/1016346135.db2.gz DUGPHTXHDXINKO-FCLVOEFKSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096607572 1016346147 /nfs/dbraw/zinc/34/61/47/1016346147.db2.gz DUGPHTXHDXINKO-FCLVOEFKSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096607572 1016346154 /nfs/dbraw/zinc/34/61/54/1016346154.db2.gz DUGPHTXHDXINKO-FCLVOEFKSA-N 2 2 372.538 2.716 20 30 FFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001112561974 1001480678 /nfs/dbraw/zinc/48/06/78/1001480678.db2.gz BLXIOADQEMHJTG-UWJYYQICSA-N 2 2 365.481 2.675 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001112590429 1001561001 /nfs/dbraw/zinc/56/10/01/1001561001.db2.gz UOKZVOZUAMLDNF-WMZOPIPTSA-N 2 2 350.894 2.634 20 30 FFEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001095499317 1016514734 /nfs/dbraw/zinc/51/47/34/1016514734.db2.gz YHNRMMXOEFMUFN-ANULTFPQSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001095499317 1016514748 /nfs/dbraw/zinc/51/47/48/1016514748.db2.gz YHNRMMXOEFMUFN-ANULTFPQSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095499317 1016514759 /nfs/dbraw/zinc/51/47/59/1016514759.db2.gz YHNRMMXOEFMUFN-ANULTFPQSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095499317 1016514770 /nfs/dbraw/zinc/51/47/70/1016514770.db2.gz YHNRMMXOEFMUFN-ANULTFPQSA-N 2 2 366.509 2.654 20 30 FFEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001184401236 1002590965 /nfs/dbraw/zinc/59/09/65/1002590965.db2.gz IBUCNNKXIQSPRZ-GOSISDBHSA-N 2 2 361.917 2.882 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607785 1003005695 /nfs/dbraw/zinc/00/56/95/1003005695.db2.gz SMBSJGWSHAQUPH-RBUKOAKNSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001086607785 1003005709 /nfs/dbraw/zinc/00/57/09/1003005709.db2.gz SMBSJGWSHAQUPH-RBUKOAKNSA-N 2 2 361.917 2.665 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001195037500 1004875352 /nfs/dbraw/zinc/87/53/52/1004875352.db2.gz KMAAVDGDILLFSK-WOJBJXKFSA-N 2 2 370.497 2.618 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001195037500 1004875355 /nfs/dbraw/zinc/87/53/55/1004875355.db2.gz KMAAVDGDILLFSK-WOJBJXKFSA-N 2 2 370.497 2.618 20 30 FFEDLP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001488954219 1005385246 /nfs/dbraw/zinc/38/52/46/1005385246.db2.gz PWJHNVKAYDIOMK-SESVDKBCSA-N 2 2 364.493 2.760 20 30 FFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001097091131 1017023855 /nfs/dbraw/zinc/02/38/55/1017023855.db2.gz LRQAOACKFZVOMV-WAPOTWQKSA-N 2 2 368.525 2.842 20 30 FFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001097091131 1017023868 /nfs/dbraw/zinc/02/38/68/1017023868.db2.gz LRQAOACKFZVOMV-WAPOTWQKSA-N 2 2 368.525 2.842 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188381601 1006538406 /nfs/dbraw/zinc/53/84/06/1006538406.db2.gz GNXAOPKHJMBFOM-GBESFXJTSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188381601 1006538415 /nfs/dbraw/zinc/53/84/15/1006538415.db2.gz GNXAOPKHJMBFOM-GBESFXJTSA-N 2 2 356.514 2.725 20 30 FFEDLP CCc1ccc(C#CC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000817656518 1007708151 /nfs/dbraw/zinc/70/81/51/1007708151.db2.gz JIXIIVIQUZZTAD-UHFFFAOYSA-N 2 2 367.537 2.619 20 30 FFEDLP CCc1ccc(C#CC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000817656518 1007708159 /nfs/dbraw/zinc/70/81/59/1007708159.db2.gz JIXIIVIQUZZTAD-UHFFFAOYSA-N 2 2 367.537 2.619 20 30 FFEDLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccncc3C#N)C2)ccn1 ZINC000856606578 1007915198 /nfs/dbraw/zinc/91/51/98/1007915198.db2.gz LIZAKAYVLFGQJU-NRFANRHFSA-N 2 2 365.481 2.842 20 30 FFEDLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccncc3C#N)C2)ccn1 ZINC000856606578 1007915203 /nfs/dbraw/zinc/91/52/03/1007915203.db2.gz LIZAKAYVLFGQJU-NRFANRHFSA-N 2 2 365.481 2.842 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccncc3C#N)C2)ccn1 ZINC000856606578 1007915206 /nfs/dbraw/zinc/91/52/06/1007915206.db2.gz LIZAKAYVLFGQJU-NRFANRHFSA-N 2 2 365.481 2.842 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)ccn1 ZINC000856606578 1007915209 /nfs/dbraw/zinc/91/52/09/1007915209.db2.gz LIZAKAYVLFGQJU-NRFANRHFSA-N 2 2 365.481 2.842 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001110741037 1008309851 /nfs/dbraw/zinc/30/98/51/1008309851.db2.gz OISCMSLSDNDOLS-MKXGPGLRSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001110741037 1008309854 /nfs/dbraw/zinc/30/98/54/1008309854.db2.gz OISCMSLSDNDOLS-MKXGPGLRSA-N 2 2 356.514 2.913 20 30 FFEDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000887131301 1009043186 /nfs/dbraw/zinc/04/31/86/1009043186.db2.gz VFVDMPGIWJZMKN-SFHVURJKSA-N 2 2 363.465 2.539 20 30 FFEDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000887131301 1009043199 /nfs/dbraw/zinc/04/31/99/1009043199.db2.gz VFVDMPGIWJZMKN-SFHVURJKSA-N 2 2 363.465 2.539 20 30 FFEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC1(C)OCCO1 ZINC000865673092 1010838558 /nfs/dbraw/zinc/83/85/58/1010838558.db2.gz SBYLEWCMJIDRJG-QGZVFWFLSA-N 2 2 357.498 2.901 20 30 FFEDLP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866283285 1010969462 /nfs/dbraw/zinc/96/94/62/1010969462.db2.gz WYHKNDPBUJEYKH-OAHLLOKOSA-N 2 2 372.513 2.541 20 30 FFEDLP C=CCCC[N@H+]1CC[C@]2(C1)c1ccccc1N(Cc1c[nH+]cn1C)C2=O ZINC001276339138 1011929134 /nfs/dbraw/zinc/92/91/34/1011929134.db2.gz OVSKYGYRVBEARA-NRFANRHFSA-N 2 2 350.466 2.877 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@]2(C1)c1ccccc1N(Cc1c[nH+]cn1C)C2=O ZINC001276339138 1011929155 /nfs/dbraw/zinc/92/91/55/1011929155.db2.gz OVSKYGYRVBEARA-NRFANRHFSA-N 2 2 350.466 2.877 20 30 FFEDLP N#CCC1CCC([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC001173324650 1012442826 /nfs/dbraw/zinc/44/28/26/1012442826.db2.gz RFFJREHOZJWBFK-UHFFFAOYSA-N 2 2 357.498 2.960 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(CC)c1 ZINC001097247937 1017246040 /nfs/dbraw/zinc/24/60/40/1017246040.db2.gz NMUVQXGMIBPZCA-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(CC)c1 ZINC001097247937 1017246054 /nfs/dbraw/zinc/24/60/54/1017246054.db2.gz NMUVQXGMIBPZCA-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(CC)c1 ZINC001097247937 1017246069 /nfs/dbraw/zinc/24/60/69/1017246069.db2.gz NMUVQXGMIBPZCA-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(CC)c1 ZINC001097247937 1017246080 /nfs/dbraw/zinc/24/60/80/1017246080.db2.gz NMUVQXGMIBPZCA-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001052388023 1017387473 /nfs/dbraw/zinc/38/74/73/1017387473.db2.gz YTOAGOSSEOJWRZ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001052388023 1017387485 /nfs/dbraw/zinc/38/74/85/1017387485.db2.gz YTOAGOSSEOJWRZ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]1C[NH2+]CCC2 ZINC001222130615 1032774198 /nfs/dbraw/zinc/77/41/98/1032774198.db2.gz GMPAQBPYNGBIPU-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C#N)c3Cl)C[C@@H]1C[NH2+]CCC2 ZINC001222130615 1032774212 /nfs/dbraw/zinc/77/42/12/1032774212.db2.gz GMPAQBPYNGBIPU-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP CN(C(=O)C#Cc1cccs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827685473 1018611723 /nfs/dbraw/zinc/61/17/23/1018611723.db2.gz NKISKQCRPXKYPK-PMACEKPBSA-N 2 2 373.566 2.895 20 30 FFEDLP CN(C(=O)C#Cc1cccs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827685473 1018611727 /nfs/dbraw/zinc/61/17/27/1018611727.db2.gz NKISKQCRPXKYPK-PMACEKPBSA-N 2 2 373.566 2.895 20 30 FFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044230 1020121607 /nfs/dbraw/zinc/12/16/07/1020121607.db2.gz FKMAVTHPAOASIQ-SLHNCBLASA-N 2 2 373.928 2.806 20 30 FFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044230 1020121611 /nfs/dbraw/zinc/12/16/11/1020121611.db2.gz FKMAVTHPAOASIQ-SLHNCBLASA-N 2 2 373.928 2.806 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044230 1020121617 /nfs/dbraw/zinc/12/16/17/1020121617.db2.gz FKMAVTHPAOASIQ-SLHNCBLASA-N 2 2 373.928 2.806 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001096044230 1020121621 /nfs/dbraw/zinc/12/16/21/1020121621.db2.gz FKMAVTHPAOASIQ-SLHNCBLASA-N 2 2 373.928 2.806 20 30 FFEDLP COC(=O)[C@H]1[NH2+]CC[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217889387 1032895249 /nfs/dbraw/zinc/89/52/49/1032895249.db2.gz OOMOEHFTGMSSHA-MOPGFXCFSA-N 2 2 358.483 2.643 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001039172219 1022736143 /nfs/dbraw/zinc/73/61/43/1022736143.db2.gz PIRFONOQMWVRMO-IPMKNSEASA-N 2 2 356.514 2.660 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001039172219 1022736157 /nfs/dbraw/zinc/73/61/57/1022736157.db2.gz PIRFONOQMWVRMO-IPMKNSEASA-N 2 2 356.514 2.660 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001039376800 1022745627 /nfs/dbraw/zinc/74/56/27/1022745627.db2.gz MGDKIFFKJYUKSW-YSTOQKLRSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001039376800 1022745633 /nfs/dbraw/zinc/74/56/33/1022745633.db2.gz MGDKIFFKJYUKSW-YSTOQKLRSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001122529633 1023321924 /nfs/dbraw/zinc/32/19/24/1023321924.db2.gz JGQPFUHXYNULMM-MSOLQXFVSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001122529633 1023321931 /nfs/dbraw/zinc/32/19/31/1023321931.db2.gz JGQPFUHXYNULMM-MSOLQXFVSA-N 2 2 358.534 2.686 20 30 FFEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001111308848 1023761969 /nfs/dbraw/zinc/76/19/69/1023761969.db2.gz AGMVPSWROLHGES-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001111308848 1023761973 /nfs/dbraw/zinc/76/19/73/1023761973.db2.gz AGMVPSWROLHGES-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001111308848 1023761978 /nfs/dbraw/zinc/76/19/78/1023761978.db2.gz AGMVPSWROLHGES-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001111308848 1023761983 /nfs/dbraw/zinc/76/19/83/1023761983.db2.gz AGMVPSWROLHGES-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@]2(C)C1 ZINC001101277712 1024300037 /nfs/dbraw/zinc/30/00/37/1024300037.db2.gz UZXWFANVOORJSN-CDXJDZJCSA-N 2 2 357.498 2.768 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@]2(C)C1 ZINC001101277712 1024300055 /nfs/dbraw/zinc/30/00/55/1024300055.db2.gz UZXWFANVOORJSN-CDXJDZJCSA-N 2 2 357.498 2.768 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001102494239 1026123242 /nfs/dbraw/zinc/12/32/42/1026123242.db2.gz IQNDFNORRCAJFD-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001102494239 1026123252 /nfs/dbraw/zinc/12/32/52/1026123252.db2.gz IQNDFNORRCAJFD-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001103282264 1027155997 /nfs/dbraw/zinc/15/59/97/1027155997.db2.gz LZIKDROWPAWSPU-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001103282264 1027156005 /nfs/dbraw/zinc/15/60/05/1027156005.db2.gz LZIKDROWPAWSPU-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP C=CC[NH+]1CCN(C(=O)C[C@@H]2CC3(CC[NH2+]CC3)c3c2cccc3C)CC1 ZINC001160432050 1027705354 /nfs/dbraw/zinc/70/53/54/1027705354.db2.gz MQYNITDRLJHBMZ-LJQANCHMSA-N 2 2 367.537 2.824 20 30 FFEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001103603331 1027765631 /nfs/dbraw/zinc/76/56/31/1027765631.db2.gz UKKXNDCDSSKNSG-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001103603331 1027765639 /nfs/dbraw/zinc/76/56/39/1027765639.db2.gz UKKXNDCDSSKNSG-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC001161340675 1028137641 /nfs/dbraw/zinc/13/76/41/1028137641.db2.gz SEFDGBVVKFTDBF-UXHICEINSA-N 2 2 354.498 2.513 20 30 FFEDLP CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC001161340675 1028137644 /nfs/dbraw/zinc/13/76/44/1028137644.db2.gz SEFDGBVVKFTDBF-UXHICEINSA-N 2 2 354.498 2.513 20 30 FFEDLP CC(C)N(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)[C@H]1CC[NH2+]C1 ZINC001161352529 1028142997 /nfs/dbraw/zinc/14/29/97/1028142997.db2.gz CHHNYFUBKQRIMF-VQTJNVASSA-N 2 2 354.498 2.512 20 30 FFEDLP CC(C)N(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)[C@H]1CC[NH2+]C1 ZINC001161352529 1028143002 /nfs/dbraw/zinc/14/30/02/1028143002.db2.gz CHHNYFUBKQRIMF-VQTJNVASSA-N 2 2 354.498 2.512 20 30 FFEDLP CC(C)N(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)[C@H]1CC[NH2+]C1 ZINC001161352526 1028143600 /nfs/dbraw/zinc/14/36/00/1028143600.db2.gz CHHNYFUBKQRIMF-PMACEKPBSA-N 2 2 354.498 2.512 20 30 FFEDLP CC(C)N(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)[C@H]1CC[NH2+]C1 ZINC001161352526 1028143604 /nfs/dbraw/zinc/14/36/04/1028143604.db2.gz CHHNYFUBKQRIMF-PMACEKPBSA-N 2 2 354.498 2.512 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C(F)(F)F ZINC001112164561 1030130250 /nfs/dbraw/zinc/13/02/50/1030130250.db2.gz MVWCIXODRVZJMH-GZBFAFLISA-N 2 2 370.419 2.775 20 30 FFEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c12 ZINC001165911151 1030168916 /nfs/dbraw/zinc/16/89/16/1030168916.db2.gz OCMJSNRGPZYYTB-UHFFFAOYSA-N 2 2 361.453 2.683 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OC)c(C)c2OC)CC1 ZINC001204268507 1031196807 /nfs/dbraw/zinc/19/68/07/1031196807.db2.gz WFZVSXMLMPBSCJ-UHFFFAOYSA-N 2 2 373.541 2.804 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001205445912 1031750504 /nfs/dbraw/zinc/75/05/04/1031750504.db2.gz PXZUSOBDSRSUPF-ZWKOTPCHSA-N 2 2 356.445 2.642 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(F)c1 ZINC001140136809 1035354548 /nfs/dbraw/zinc/35/45/48/1035354548.db2.gz OFTQMUYSGJFCCD-UHFFFAOYSA-N 2 2 353.445 2.548 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(F)c1 ZINC001140136809 1035354556 /nfs/dbraw/zinc/35/45/56/1035354556.db2.gz OFTQMUYSGJFCCD-UHFFFAOYSA-N 2 2 353.445 2.548 20 30 FFEDLP CCC[N@@H+]1CCO[C@@H]2c3cc(O[C@H](CC#N)C[N+](C)(C)C)ccc3OC[C@H]21 ZINC001230424426 1037275309 /nfs/dbraw/zinc/27/53/09/1037275309.db2.gz FQHNBGMZBLULTO-YFVAEKQCSA-N 2 2 374.505 2.598 20 30 FFEDLP CCC[N@H+]1CCO[C@@H]2c3cc(O[C@H](CC#N)C[N+](C)(C)C)ccc3OC[C@H]21 ZINC001230424426 1037275321 /nfs/dbraw/zinc/27/53/21/1037275321.db2.gz FQHNBGMZBLULTO-YFVAEKQCSA-N 2 2 374.505 2.598 20 30 FFEDLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001235528222 1037609086 /nfs/dbraw/zinc/60/90/86/1037609086.db2.gz NZYJLOICRQMKPS-LJQANCHMSA-N 2 2 355.482 2.602 20 30 FFEDLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001235528222 1037609093 /nfs/dbraw/zinc/60/90/93/1037609093.db2.gz NZYJLOICRQMKPS-LJQANCHMSA-N 2 2 355.482 2.602 20 30 FFEDLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001235528219 1037609460 /nfs/dbraw/zinc/60/94/60/1037609460.db2.gz NZYJLOICRQMKPS-IBGZPJMESA-N 2 2 355.482 2.602 20 30 FFEDLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001235528219 1037609472 /nfs/dbraw/zinc/60/94/72/1037609472.db2.gz NZYJLOICRQMKPS-IBGZPJMESA-N 2 2 355.482 2.602 20 30 FFEDLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)ccc3C#N)(C1)CCC2 ZINC001278939209 1038526078 /nfs/dbraw/zinc/52/60/78/1038526078.db2.gz IIDXVMMUDMKLIV-UXHICEINSA-N 2 2 361.461 2.842 20 30 FFEDLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001278939632 1038530569 /nfs/dbraw/zinc/53/05/69/1038530569.db2.gz PRZOETXOJLFEJU-NRFANRHFSA-N 2 2 358.505 2.937 20 30 FFEDLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001278939632 1038530576 /nfs/dbraw/zinc/53/05/76/1038530576.db2.gz PRZOETXOJLFEJU-NRFANRHFSA-N 2 2 358.505 2.937 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001209977322 1039317860 /nfs/dbraw/zinc/31/78/60/1039317860.db2.gz HBRBZPBMKAFVDH-JTDSTZFVSA-N 2 2 353.470 2.672 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001209977322 1039317875 /nfs/dbraw/zinc/31/78/75/1039317875.db2.gz HBRBZPBMKAFVDH-JTDSTZFVSA-N 2 2 353.470 2.672 20 30 FFEDLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[NH2+]1 ZINC001246768808 1039474147 /nfs/dbraw/zinc/47/41/47/1039474147.db2.gz VGKHWPPENLBHFP-COPCDDAFSA-N 2 2 368.525 2.618 20 30 FFEDLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[NH2+]1 ZINC001246768808 1039474153 /nfs/dbraw/zinc/47/41/53/1039474153.db2.gz VGKHWPPENLBHFP-COPCDDAFSA-N 2 2 368.525 2.618 20 30 FFEDLP C=C[C@](C)(O)C[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001252575939 1039601008 /nfs/dbraw/zinc/60/10/08/1039601008.db2.gz FXXYWOACTXSIOH-YADHBBJMSA-N 2 2 354.494 2.576 20 30 FFEDLP C=CCC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001252619193 1039615154 /nfs/dbraw/zinc/61/51/54/1039615154.db2.gz BVBOJDRBTGQKPU-PKTZIBPZSA-N 2 2 368.521 2.966 20 30 FFEDLP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001248749731 1040393400 /nfs/dbraw/zinc/39/34/00/1040393400.db2.gz KFWLXDHIAPLDGQ-JOCHJYFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001248749731 1040393416 /nfs/dbraw/zinc/39/34/16/1040393416.db2.gz KFWLXDHIAPLDGQ-JOCHJYFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001248749731 1040393425 /nfs/dbraw/zinc/39/34/25/1040393425.db2.gz KFWLXDHIAPLDGQ-JOCHJYFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001248749731 1040393436 /nfs/dbraw/zinc/39/34/36/1040393436.db2.gz KFWLXDHIAPLDGQ-JOCHJYFZSA-N 2 2 371.525 2.681 20 30 FFEDLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@H]4CC[C@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664453 1040863095 /nfs/dbraw/zinc/86/30/95/1040863095.db2.gz HWYYOHURJHOBEF-OGWHTMIXSA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@H]4CC[C@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664453 1040863112 /nfs/dbraw/zinc/86/31/12/1040863112.db2.gz HWYYOHURJHOBEF-OGWHTMIXSA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@H]4CC[C@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664453 1040863120 /nfs/dbraw/zinc/86/31/20/1040863120.db2.gz HWYYOHURJHOBEF-OGWHTMIXSA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@H]4CC[C@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664453 1040863127 /nfs/dbraw/zinc/86/31/27/1040863127.db2.gz HWYYOHURJHOBEF-OGWHTMIXSA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1cccn2cc(CCNC(NC(C)(C)C)=[NH+]C[C@H]3CCOC3)[nH+]c12 ZINC001262555078 1041717802 /nfs/dbraw/zinc/71/78/02/1041717802.db2.gz CBMZDUUJYVLYBA-MRXNPFEDSA-N 2 2 357.502 2.555 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001262948228 1041982775 /nfs/dbraw/zinc/98/27/75/1041982775.db2.gz FHBWQYMYVJCYDX-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001262948228 1041982781 /nfs/dbraw/zinc/98/27/81/1041982781.db2.gz FHBWQYMYVJCYDX-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001263301011 1042229121 /nfs/dbraw/zinc/22/91/21/1042229121.db2.gz GITZGKUTRQOAPT-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001263301011 1042229125 /nfs/dbraw/zinc/22/91/25/1042229125.db2.gz GITZGKUTRQOAPT-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001263301011 1042229128 /nfs/dbraw/zinc/22/91/28/1042229128.db2.gz GITZGKUTRQOAPT-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001263301011 1042229131 /nfs/dbraw/zinc/22/91/31/1042229131.db2.gz GITZGKUTRQOAPT-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001264036557 1042588768 /nfs/dbraw/zinc/58/87/68/1042588768.db2.gz AJAKTJJKYIOKMP-CEWLAPEOSA-N 2 2 364.493 2.832 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001264036557 1042588771 /nfs/dbraw/zinc/58/87/71/1042588771.db2.gz AJAKTJJKYIOKMP-CEWLAPEOSA-N 2 2 364.493 2.832 20 30 FFEDLP Cc1nc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cc(C#N)n(C)c4)(C2)CCC3)co1 ZINC001279384695 1043041492 /nfs/dbraw/zinc/04/14/92/1043041492.db2.gz KCRDYDPKLCWWQY-UXHICEINSA-N 2 2 353.470 2.918 20 30 FFEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001539432325 1070637022 /nfs/dbraw/zinc/63/70/22/1070637022.db2.gz ZXUQNGSFNVYGCP-RTBURBONSA-N 2 2 374.577 2.523 20 30 FFEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001293324162 1049530279 /nfs/dbraw/zinc/53/02/79/1049530279.db2.gz ZOERPNUORQBTLR-MRXNPFEDSA-N 2 2 353.869 2.678 20 30 FFEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001293324162 1049530293 /nfs/dbraw/zinc/53/02/93/1049530293.db2.gz ZOERPNUORQBTLR-MRXNPFEDSA-N 2 2 353.869 2.678 20 30 FFEDLP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)n1cc[nH+]c1 ZINC001316663580 1050299636 /nfs/dbraw/zinc/29/96/36/1050299636.db2.gz YDFQHVQIQHYTEY-FFZOFVMBSA-N 2 2 365.481 2.781 20 30 FFEDLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001492036041 1050693904 /nfs/dbraw/zinc/69/39/04/1050693904.db2.gz BKDUIJBYNSRZJG-ZTFGCOKTSA-N 2 2 370.884 2.703 20 30 FFEDLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001492036041 1050693911 /nfs/dbraw/zinc/69/39/11/1050693911.db2.gz BKDUIJBYNSRZJG-ZTFGCOKTSA-N 2 2 370.884 2.703 20 30 FFEDLP CN(C)C(NCc1ccccc1)=[NH+]CC[NH+]1CCN(c2ccccc2)CC1 ZINC000849059773 1055613299 /nfs/dbraw/zinc/61/32/99/1055613299.db2.gz MPKCQCMMHATVLW-UHFFFAOYSA-N 2 2 365.525 2.516 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001515997658 1059924554 /nfs/dbraw/zinc/92/45/54/1059924554.db2.gz NWVKRRFOAPMDJU-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001515997658 1059924570 /nfs/dbraw/zinc/92/45/70/1059924570.db2.gz NWVKRRFOAPMDJU-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001515997658 1059924591 /nfs/dbraw/zinc/92/45/91/1059924591.db2.gz NWVKRRFOAPMDJU-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001515997658 1059924613 /nfs/dbraw/zinc/92/46/13/1059924613.db2.gz NWVKRRFOAPMDJU-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001523797489 1062628712 /nfs/dbraw/zinc/62/87/12/1062628712.db2.gz YTKJOJMGBBIVKQ-SFHVURJKSA-N 2 2 360.550 2.618 20 30 FFEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)n1 ZINC000290142277 257317263 /nfs/dbraw/zinc/31/72/63/257317263.db2.gz KRJMTSNWNIUDMT-UHFFFAOYSA-N 2 2 366.465 2.725 20 30 FFEDLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000072813322 507856908 /nfs/dbraw/zinc/85/69/08/507856908.db2.gz QMBKEPCGEIMKCO-UHFFFAOYSA-N 2 2 365.481 2.613 20 30 FFEDLP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868961 507867205 /nfs/dbraw/zinc/86/72/05/507867205.db2.gz MRALCFLLIGBJNX-HXUWFJFHSA-N 2 2 362.477 2.951 20 30 FFEDLP C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868961 507867206 /nfs/dbraw/zinc/86/72/06/507867206.db2.gz MRALCFLLIGBJNX-HXUWFJFHSA-N 2 2 362.477 2.951 20 30 FFEDLP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868961 507867207 /nfs/dbraw/zinc/86/72/07/507867207.db2.gz MRALCFLLIGBJNX-HXUWFJFHSA-N 2 2 362.477 2.951 20 30 FFEDLP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868961 507867208 /nfs/dbraw/zinc/86/72/08/507867208.db2.gz MRALCFLLIGBJNX-HXUWFJFHSA-N 2 2 362.477 2.951 20 30 FFEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000093302123 508136974 /nfs/dbraw/zinc/13/69/74/508136974.db2.gz RQVNYNREADDYHC-MRXNPFEDSA-N 2 2 367.497 2.996 20 30 FFEDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OCCCC#N ZINC000093665240 508151852 /nfs/dbraw/zinc/15/18/52/508151852.db2.gz ZSPBBUPOSJFSNE-IBGZPJMESA-N 2 2 373.497 2.532 20 30 FFEDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OCCCC#N ZINC000093665240 508151855 /nfs/dbraw/zinc/15/18/55/508151855.db2.gz ZSPBBUPOSJFSNE-IBGZPJMESA-N 2 2 373.497 2.532 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000112749368 508220214 /nfs/dbraw/zinc/22/02/14/508220214.db2.gz JEJCYJPVZPLVGU-UHFFFAOYSA-N 2 2 359.518 2.652 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478066 508320414 /nfs/dbraw/zinc/32/04/14/508320414.db2.gz TXWQVQIPHBUCDP-RBUKOAKNSA-N 2 2 356.514 2.822 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478066 508320416 /nfs/dbraw/zinc/32/04/16/508320416.db2.gz TXWQVQIPHBUCDP-RBUKOAKNSA-N 2 2 356.514 2.822 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000247955818 509199328 /nfs/dbraw/zinc/19/93/28/509199328.db2.gz FOFZHWSEDVKMHK-FPOVZHCZSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000247955818 509199337 /nfs/dbraw/zinc/19/93/37/509199337.db2.gz FOFZHWSEDVKMHK-FPOVZHCZSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000247955818 509199346 /nfs/dbraw/zinc/19/93/46/509199346.db2.gz FOFZHWSEDVKMHK-FPOVZHCZSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000247955818 509199353 /nfs/dbraw/zinc/19/93/53/509199353.db2.gz FOFZHWSEDVKMHK-FPOVZHCZSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1oc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185708217 509316817 /nfs/dbraw/zinc/31/68/17/509316817.db2.gz QCNRDKBVFYWLHJ-ZBFHGGJFSA-N 2 2 358.486 2.949 20 30 FFEDLP Cc1oc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185708217 509316823 /nfs/dbraw/zinc/31/68/23/509316823.db2.gz QCNRDKBVFYWLHJ-ZBFHGGJFSA-N 2 2 358.486 2.949 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Nc2ccc(F)c(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000176087921 509317252 /nfs/dbraw/zinc/31/72/52/509317252.db2.gz QIOSQEGTIQNWLQ-UHFFFAOYSA-N 2 2 373.476 2.769 20 30 FFEDLP COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1OC ZINC000264123875 509341149 /nfs/dbraw/zinc/34/11/49/509341149.db2.gz VUZCLXHXBSNMDD-KRWDZBQOSA-N 2 2 374.460 2.550 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000264383670 509494226 /nfs/dbraw/zinc/49/42/26/509494226.db2.gz XSIZVVKBGRSCTF-UHFFFAOYSA-N 2 2 362.481 2.661 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCCN(c3cc(N4CCCC4)[nH+]cn3)CC2)cc1 ZINC000264383670 509494231 /nfs/dbraw/zinc/49/42/31/509494231.db2.gz XSIZVVKBGRSCTF-UHFFFAOYSA-N 2 2 362.481 2.661 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245562796 510009235 /nfs/dbraw/zinc/00/92/35/510009235.db2.gz CRXNDHHVYAREFS-MISYRCLQSA-N 2 2 355.482 2.934 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245562796 510009244 /nfs/dbraw/zinc/00/92/44/510009244.db2.gz CRXNDHHVYAREFS-MISYRCLQSA-N 2 2 355.482 2.934 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245562797 510009288 /nfs/dbraw/zinc/00/92/88/510009288.db2.gz CRXNDHHVYAREFS-RLLQIKCJSA-N 2 2 355.482 2.934 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245562797 510009294 /nfs/dbraw/zinc/00/92/94/510009294.db2.gz CRXNDHHVYAREFS-RLLQIKCJSA-N 2 2 355.482 2.934 20 30 FFEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C#N)c1C ZINC000171387505 510122353 /nfs/dbraw/zinc/12/23/53/510122353.db2.gz MNWLPDBYJZVQSP-OAHLLOKOSA-N 2 2 358.486 2.903 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000177904395 510317118 /nfs/dbraw/zinc/31/71/18/510317118.db2.gz ZABNZWZDDSKXTQ-HNNXBMFYSA-N 2 2 361.486 2.661 20 30 FFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N1CCCC[C@H]1C ZINC000181655834 510524028 /nfs/dbraw/zinc/52/40/28/510524028.db2.gz FBIQRMRLFKYZAP-QZTJIDSGSA-N 2 2 368.525 2.902 20 30 FFEDLP CN(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000181659670 510526748 /nfs/dbraw/zinc/52/67/48/510526748.db2.gz NMAOMXLSADLZKS-UHFFFAOYSA-N 2 2 372.513 2.979 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000282 510701500 /nfs/dbraw/zinc/70/15/00/510701500.db2.gz QEBJCOWZBJXQOU-LAUBAEHRSA-N 2 2 365.477 2.659 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000282 510701508 /nfs/dbraw/zinc/70/15/08/510701508.db2.gz QEBJCOWZBJXQOU-LAUBAEHRSA-N 2 2 365.477 2.659 20 30 FFEDLP C=CC[NH+]1CCC(Nc2cc(NC3CC[NH+](CC=C)CC3)[nH+]cn2)CC1 ZINC000178800380 510778656 /nfs/dbraw/zinc/77/86/56/510778656.db2.gz WETVQPXEYSLLGR-UHFFFAOYSA-N 3 2 356.518 2.601 20 30 FFEDLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329950687 510885367 /nfs/dbraw/zinc/88/53/67/510885367.db2.gz LZPAMEDTGBRJLU-AWEZNQCLSA-N 2 2 361.877 2.819 20 30 FFEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000330183759 510932533 /nfs/dbraw/zinc/93/25/33/510932533.db2.gz ICRRDJVWNFLVIB-HNNXBMFYSA-N 2 2 364.453 2.868 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000297857121 511090449 /nfs/dbraw/zinc/09/04/49/511090449.db2.gz ZZVLHIGCOONYSB-GOSISDBHSA-N 2 2 353.470 2.791 20 30 FFEDLP C#Cc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000289256989 511096988 /nfs/dbraw/zinc/09/69/88/511096988.db2.gz MGXZQAOVMNIHFF-UHFFFAOYSA-N 2 2 350.462 2.669 20 30 FFEDLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1 ZINC000271892516 511360815 /nfs/dbraw/zinc/36/08/15/511360815.db2.gz SHWCAWLOEBWGAK-KRWDZBQOSA-N 2 2 362.477 2.797 20 30 FFEDLP CCC[C@@H](C)C(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292671000 511680157 /nfs/dbraw/zinc/68/01/57/511680157.db2.gz MDKLECOAGXMUAZ-QGZVFWFLSA-N 2 2 356.514 2.665 20 30 FFEDLP CCC[C@H](C)C(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000292670995 511680759 /nfs/dbraw/zinc/68/07/59/511680759.db2.gz MDKLECOAGXMUAZ-KRWDZBQOSA-N 2 2 356.514 2.665 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CC(N)=O)c3ccccc3)CC2)cc1 ZINC000293056453 511824094 /nfs/dbraw/zinc/82/40/94/511824094.db2.gz RWUWJSFXUSZWOG-NRFANRHFSA-N 2 2 362.477 2.729 20 30 FFEDLP C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329328980 512027631 /nfs/dbraw/zinc/02/76/31/512027631.db2.gz XZMBZYNAWNGVFH-BBWFWOEESA-N 2 2 359.518 2.776 20 30 FFEDLP C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329328980 512027638 /nfs/dbraw/zinc/02/76/38/512027638.db2.gz XZMBZYNAWNGVFH-BBWFWOEESA-N 2 2 359.518 2.776 20 30 FFEDLP C[C@H]([NH+]=C([O-])N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1=CC[N@H+](C)CC1 ZINC000329324040 512027871 /nfs/dbraw/zinc/02/78/71/512027871.db2.gz VJRVZOQULVCLKP-HOCLYGCPSA-N 2 2 359.518 2.649 20 30 FFEDLP C[C@H]([NH+]=C([O-])N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1=CC[N@@H+](C)CC1 ZINC000329324040 512027874 /nfs/dbraw/zinc/02/78/74/512027874.db2.gz VJRVZOQULVCLKP-HOCLYGCPSA-N 2 2 359.518 2.649 20 30 FFEDLP C[C@H](NC([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1=CC[N@H+](C)CC1 ZINC000329324040 512027877 /nfs/dbraw/zinc/02/78/77/512027877.db2.gz VJRVZOQULVCLKP-HOCLYGCPSA-N 2 2 359.518 2.649 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282096760 512074970 /nfs/dbraw/zinc/07/49/70/512074970.db2.gz PBDSLHJKLCISAM-ZWKOTPCHSA-N 2 2 356.514 2.988 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282096760 512074974 /nfs/dbraw/zinc/07/49/74/512074974.db2.gz PBDSLHJKLCISAM-ZWKOTPCHSA-N 2 2 356.514 2.988 20 30 FFEDLP C[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C[C@H]1[NH+](C)C ZINC000329776086 512096324 /nfs/dbraw/zinc/09/63/24/512096324.db2.gz NSWVOPACHMGPIK-IIAWOOMASA-N 2 2 365.547 2.802 20 30 FFEDLP C[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C[C@H]1[NH+](C)C ZINC000329776086 512096326 /nfs/dbraw/zinc/09/63/26/512096326.db2.gz NSWVOPACHMGPIK-IIAWOOMASA-N 2 2 365.547 2.802 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000369647071 512531926 /nfs/dbraw/zinc/53/19/26/512531926.db2.gz JTEZPWNHGCSXIS-LAUBAEHRSA-N 2 2 362.477 2.997 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000369647071 512531930 /nfs/dbraw/zinc/53/19/30/512531930.db2.gz JTEZPWNHGCSXIS-LAUBAEHRSA-N 2 2 362.477 2.997 20 30 FFEDLP N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411310873 512574799 /nfs/dbraw/zinc/57/47/99/512574799.db2.gz VQHNJJNUSZPNEZ-UHFFFAOYSA-N 2 2 370.541 2.720 20 30 FFEDLP C=CC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000411372311 512603949 /nfs/dbraw/zinc/60/39/49/512603949.db2.gz UUNXFANIMZQJNR-FQEVSTJZSA-N 2 2 362.539 2.848 20 30 FFEDLP C=CC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000411372311 512603955 /nfs/dbraw/zinc/60/39/55/512603955.db2.gz UUNXFANIMZQJNR-FQEVSTJZSA-N 2 2 362.539 2.848 20 30 FFEDLP C=C(CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377004651 513086305 /nfs/dbraw/zinc/08/63/05/513086305.db2.gz FSBJCTJENRUAIH-FQEVSTJZSA-N 2 2 356.514 2.510 20 30 FFEDLP C=C(CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377004651 513086309 /nfs/dbraw/zinc/08/63/09/513086309.db2.gz FSBJCTJENRUAIH-FQEVSTJZSA-N 2 2 356.514 2.510 20 30 FFEDLP C=CCCC[C@@H](C)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422190250 513627544 /nfs/dbraw/zinc/62/75/44/513627544.db2.gz WQXIRWQAQFVDEN-GOSISDBHSA-N 2 2 350.551 2.933 20 30 FFEDLP C=CCCC[C@@H](C)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422190250 513627548 /nfs/dbraw/zinc/62/75/48/513627548.db2.gz WQXIRWQAQFVDEN-GOSISDBHSA-N 2 2 350.551 2.933 20 30 FFEDLP COc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1C#N ZINC000442887236 513803543 /nfs/dbraw/zinc/80/35/43/513803543.db2.gz WYRRGJPDWUATID-QZTJIDSGSA-N 2 2 356.514 2.557 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525427 513808143 /nfs/dbraw/zinc/80/81/43/513808143.db2.gz GBENVIJJGZDXQK-WIYYLYMNSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525427 513808149 /nfs/dbraw/zinc/80/81/49/513808149.db2.gz GBENVIJJGZDXQK-WIYYLYMNSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525427 513808154 /nfs/dbraw/zinc/80/81/54/513808154.db2.gz GBENVIJJGZDXQK-WIYYLYMNSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525427 513808157 /nfs/dbraw/zinc/80/81/57/513808157.db2.gz GBENVIJJGZDXQK-WIYYLYMNSA-N 2 2 368.525 2.885 20 30 FFEDLP C[N@H+](Cc1cccc(C#N)c1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425976523 513813710 /nfs/dbraw/zinc/81/37/10/513813710.db2.gz RGCDNSCREKUBMK-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[N@@H+](Cc1cccc(C#N)c1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425976523 513813718 /nfs/dbraw/zinc/81/37/18/513813718.db2.gz RGCDNSCREKUBMK-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1cccc(C#N)c1F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425976523 513813725 /nfs/dbraw/zinc/81/37/25/513813725.db2.gz RGCDNSCREKUBMK-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1cccc(C#N)c1F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425976523 513813728 /nfs/dbraw/zinc/81/37/28/513813728.db2.gz RGCDNSCREKUBMK-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424179855 514408454 /nfs/dbraw/zinc/40/84/54/514408454.db2.gz ZTYYKUXHTZGRON-IXDOHACOSA-N 2 2 366.868 2.752 20 30 FFEDLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424179855 514408458 /nfs/dbraw/zinc/40/84/58/514408458.db2.gz ZTYYKUXHTZGRON-IXDOHACOSA-N 2 2 366.868 2.752 20 30 FFEDLP Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450224524 514551955 /nfs/dbraw/zinc/55/19/55/514551955.db2.gz BSCVKGUZHJRYEC-UXHICEINSA-N 2 2 371.529 2.604 20 30 FFEDLP Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450224524 514551958 /nfs/dbraw/zinc/55/19/58/514551958.db2.gz BSCVKGUZHJRYEC-UXHICEINSA-N 2 2 371.529 2.604 20 30 FFEDLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485363563 515010322 /nfs/dbraw/zinc/01/03/22/515010322.db2.gz ZDZRJFFVYDRDFU-NDXORKPFSA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485363563 515010331 /nfs/dbraw/zinc/01/03/31/515010331.db2.gz ZDZRJFFVYDRDFU-NDXORKPFSA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485363565 515010927 /nfs/dbraw/zinc/01/09/27/515010927.db2.gz ZDZRJFFVYDRDFU-ZLGUVYLKSA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485363565 515010939 /nfs/dbraw/zinc/01/09/39/515010939.db2.gz ZDZRJFFVYDRDFU-ZLGUVYLKSA-N 2 2 362.477 2.585 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)cc1F ZINC000511812466 516040254 /nfs/dbraw/zinc/04/02/54/516040254.db2.gz XWXSUBFACLMRAK-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)cc1F ZINC000511812466 516040261 /nfs/dbraw/zinc/04/02/61/516040261.db2.gz XWXSUBFACLMRAK-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP CN(C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1)C1(C#N)CCCCC1 ZINC000552271254 517171613 /nfs/dbraw/zinc/17/16/13/517171613.db2.gz ZVPMPNUAEKGINO-UHFFFAOYSA-N 2 2 360.502 2.718 20 30 FFEDLP CN(C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1)C1(C#N)CCCCC1 ZINC000552271254 517171620 /nfs/dbraw/zinc/17/16/20/517171620.db2.gz ZVPMPNUAEKGINO-UHFFFAOYSA-N 2 2 360.502 2.718 20 30 FFEDLP CN(C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1)C1(C#N)CCCCC1 ZINC000552271254 517171625 /nfs/dbraw/zinc/17/16/25/517171625.db2.gz ZVPMPNUAEKGINO-UHFFFAOYSA-N 2 2 360.502 2.718 20 30 FFEDLP CN(C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1)C1(C#N)CCCCC1 ZINC000552271254 517171628 /nfs/dbraw/zinc/17/16/28/517171628.db2.gz ZVPMPNUAEKGINO-UHFFFAOYSA-N 2 2 360.502 2.718 20 30 FFEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000542878997 517793738 /nfs/dbraw/zinc/79/37/38/517793738.db2.gz DLKUMNLOPXDOMZ-VLIAUNLRSA-N 2 2 359.433 2.930 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000550327778 517998407 /nfs/dbraw/zinc/99/84/07/517998407.db2.gz IHUSPEUUIUVPCG-IRLDBZIGSA-N 2 2 365.477 2.725 20 30 FFEDLP C=CCOc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000566941756 518276357 /nfs/dbraw/zinc/27/63/57/518276357.db2.gz UENURJKJINXYSH-WCRBZPEASA-N 2 2 355.526 2.994 20 30 FFEDLP C=CCOc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000566941756 518276365 /nfs/dbraw/zinc/27/63/65/518276365.db2.gz UENURJKJINXYSH-WCRBZPEASA-N 2 2 355.526 2.994 20 30 FFEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000583378715 519218579 /nfs/dbraw/zinc/21/85/79/519218579.db2.gz IESQQZGTNZEPSW-JKSUJKDBSA-N 2 2 366.868 2.753 20 30 FFEDLP Cc1c[nH+]c2cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccn12 ZINC000571819258 519290552 /nfs/dbraw/zinc/29/05/52/519290552.db2.gz UFPKPIXFAZGJIM-UHFFFAOYSA-N 2 2 361.449 2.718 20 30 FFEDLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2ccccc2)CC1 ZINC000571990833 519384331 /nfs/dbraw/zinc/38/43/31/519384331.db2.gz YHDZOUCJFUFBIQ-OAQYLSRUSA-N 2 2 352.457 2.776 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000566305417 519423894 /nfs/dbraw/zinc/42/38/94/519423894.db2.gz WNWZITRRONGSMX-KRWDZBQOSA-N 2 2 362.543 2.572 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000566305417 519423902 /nfs/dbraw/zinc/42/39/02/519423902.db2.gz WNWZITRRONGSMX-KRWDZBQOSA-N 2 2 362.543 2.572 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000566305417 519423912 /nfs/dbraw/zinc/42/39/12/519423912.db2.gz WNWZITRRONGSMX-KRWDZBQOSA-N 2 2 362.543 2.572 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000566305417 519423916 /nfs/dbraw/zinc/42/39/16/519423916.db2.gz WNWZITRRONGSMX-KRWDZBQOSA-N 2 2 362.543 2.572 20 30 FFEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000600736787 520435086 /nfs/dbraw/zinc/43/50/86/520435086.db2.gz SSSKMUNWGNWUSF-LEWJYISDSA-N 2 2 371.525 2.558 20 30 FFEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000600736787 520435094 /nfs/dbraw/zinc/43/50/94/520435094.db2.gz SSSKMUNWGNWUSF-LEWJYISDSA-N 2 2 371.525 2.558 20 30 FFEDLP C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000600736112 520436079 /nfs/dbraw/zinc/43/60/79/520436079.db2.gz QKODQHASDBLQQU-NBHGPNQESA-N 2 2 353.466 2.579 20 30 FFEDLP CN(c1nc(C(C)(C)C)ccc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613423567 520495001 /nfs/dbraw/zinc/49/50/01/520495001.db2.gz IIGLFRRIYTVRRM-GOSISDBHSA-N 2 2 355.530 2.855 20 30 FFEDLP CN(c1nc(C(C)(C)C)ccc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613423567 520495009 /nfs/dbraw/zinc/49/50/09/520495009.db2.gz IIGLFRRIYTVRRM-GOSISDBHSA-N 2 2 355.530 2.855 20 30 FFEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@@H](CC#N)c3ccccc3)c2)CC1 ZINC000601804819 520960705 /nfs/dbraw/zinc/96/07/05/520960705.db2.gz MJQZSAWSGYRQMD-GOSISDBHSA-N 2 2 363.465 2.859 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593968424 521321743 /nfs/dbraw/zinc/32/17/43/521321743.db2.gz KUSWHJISPHKXQJ-CVEARBPZSA-N 2 2 369.444 2.684 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593968424 521321748 /nfs/dbraw/zinc/32/17/48/521321748.db2.gz KUSWHJISPHKXQJ-CVEARBPZSA-N 2 2 369.444 2.684 20 30 FFEDLP CCNC(NCCc1cn2cc(Br)cc(C)c2[nH+]1)=[NH+]CC ZINC000262410216 729665403 /nfs/dbraw/zinc/66/54/03/729665403.db2.gz XISGFDQEDLTOPK-UHFFFAOYSA-N 2 2 352.280 2.523 20 30 FFEDLP C[NH+]1CCC2(CC1)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000646104799 730635664 /nfs/dbraw/zinc/63/56/64/730635664.db2.gz NPNSGHYBZOSWFS-UHFFFAOYSA-N 2 2 352.400 2.854 20 30 FFEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000646104799 730635666 /nfs/dbraw/zinc/63/56/66/730635666.db2.gz NPNSGHYBZOSWFS-UHFFFAOYSA-N 2 2 352.400 2.854 20 30 FFEDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(C#N)ccc2Br)CCCO1 ZINC000922063279 738085735 /nfs/dbraw/zinc/08/57/35/738085735.db2.gz DCOKKJFTTLESBF-AWEZNQCLSA-N 2 2 366.303 2.911 20 30 FFEDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(C#N)ccc2Br)CCCO1 ZINC000922063279 738085738 /nfs/dbraw/zinc/08/57/38/738085738.db2.gz DCOKKJFTTLESBF-AWEZNQCLSA-N 2 2 366.303 2.911 20 30 FFEDLP CCOC(=O)C(C)(C)O[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000835006036 745931137 /nfs/dbraw/zinc/93/11/37/745931137.db2.gz VGHXKXSDAUUSLH-UHFFFAOYSA-N 2 2 367.877 2.784 20 30 FFEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261885686 964164706 /nfs/dbraw/zinc/16/47/06/964164706.db2.gz WWKGHVAYDAKLGA-NRFANRHFSA-N 2 2 351.498 2.829 20 30 FFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001104366926 964294241 /nfs/dbraw/zinc/29/42/41/964294241.db2.gz ACFWJZCQJRHVGM-UHOFOFEASA-N 2 2 364.921 2.650 20 30 FFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001104366926 964294248 /nfs/dbraw/zinc/29/42/48/964294248.db2.gz ACFWJZCQJRHVGM-UHOFOFEASA-N 2 2 364.921 2.650 20 30 FFEDLP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261973179 965115328 /nfs/dbraw/zinc/11/53/28/965115328.db2.gz NFSNWHNRIODJGH-TXTZMMAHSA-N 2 2 359.518 2.545 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1C#N ZINC001087625337 968403777 /nfs/dbraw/zinc/40/37/77/968403777.db2.gz CIYHLXBKCFJBGK-XUVXKRRUSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1C#N ZINC001087625337 968403785 /nfs/dbraw/zinc/40/37/85/968403785.db2.gz CIYHLXBKCFJBGK-XUVXKRRUSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1C#N ZINC001087625337 968403791 /nfs/dbraw/zinc/40/37/91/968403791.db2.gz CIYHLXBKCFJBGK-XUVXKRRUSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1C#N ZINC001087625337 968403797 /nfs/dbraw/zinc/40/37/97/968403797.db2.gz CIYHLXBKCFJBGK-XUVXKRRUSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087625572 968406430 /nfs/dbraw/zinc/40/64/30/968406430.db2.gz MRURZRQAAUNJKB-HBMCJLEFSA-N 2 2 371.500 2.631 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087625572 968406436 /nfs/dbraw/zinc/40/64/36/968406436.db2.gz MRURZRQAAUNJKB-HBMCJLEFSA-N 2 2 371.500 2.631 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001087625572 968406439 /nfs/dbraw/zinc/40/64/39/968406439.db2.gz MRURZRQAAUNJKB-HBMCJLEFSA-N 2 2 371.500 2.631 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001087625572 968406441 /nfs/dbraw/zinc/40/64/41/968406441.db2.gz MRURZRQAAUNJKB-HBMCJLEFSA-N 2 2 371.500 2.631 20 30 FFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990739670 976760501 /nfs/dbraw/zinc/76/05/01/976760501.db2.gz JKCXOHANENWZHD-JPAWQOSXSA-N 2 2 368.525 2.843 20 30 FFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990739670 976760513 /nfs/dbraw/zinc/76/05/13/976760513.db2.gz JKCXOHANENWZHD-JPAWQOSXSA-N 2 2 368.525 2.843 20 30 FFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000759977127 977388293 /nfs/dbraw/zinc/38/82/93/977388293.db2.gz OCBYTNIYYLHGHY-IAGOWNOFSA-N 2 2 363.465 2.640 20 30 FFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000759977127 977388300 /nfs/dbraw/zinc/38/83/00/977388300.db2.gz OCBYTNIYYLHGHY-IAGOWNOFSA-N 2 2 363.465 2.640 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571224 977950896 /nfs/dbraw/zinc/95/08/96/977950896.db2.gz JVIPYWGAHIIXIN-DGQTTZFYSA-N 2 2 356.514 2.660 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571224 977950908 /nfs/dbraw/zinc/95/09/08/977950908.db2.gz JVIPYWGAHIIXIN-DGQTTZFYSA-N 2 2 356.514 2.660 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001087459844 977995230 /nfs/dbraw/zinc/99/52/30/977995230.db2.gz AVTJQJHBSMNREC-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001087459844 977995240 /nfs/dbraw/zinc/99/52/40/977995240.db2.gz AVTJQJHBSMNREC-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001087459844 977995251 /nfs/dbraw/zinc/99/52/51/977995251.db2.gz AVTJQJHBSMNREC-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001087459844 977995258 /nfs/dbraw/zinc/99/52/58/977995258.db2.gz AVTJQJHBSMNREC-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000083031513 984040736 /nfs/dbraw/zinc/04/07/36/984040736.db2.gz IVMGZBAWRPPCDO-ZWKOTPCHSA-N 2 2 356.445 2.857 20 30 FFEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089061061 986145235 /nfs/dbraw/zinc/14/52/35/986145235.db2.gz VYFYKRCMVWVVMC-JLSDUUJJSA-N 2 2 360.527 2.573 20 30 FFEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089061061 986145239 /nfs/dbraw/zinc/14/52/39/986145239.db2.gz VYFYKRCMVWVVMC-JLSDUUJJSA-N 2 2 360.527 2.573 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089061061 986145243 /nfs/dbraw/zinc/14/52/43/986145243.db2.gz VYFYKRCMVWVVMC-JLSDUUJJSA-N 2 2 360.527 2.573 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089061061 986145247 /nfs/dbraw/zinc/14/52/47/986145247.db2.gz VYFYKRCMVWVVMC-JLSDUUJJSA-N 2 2 360.527 2.573 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC000922808328 988928720 /nfs/dbraw/zinc/92/87/20/988928720.db2.gz XRTRZVPHVICKES-NRFANRHFSA-N 2 2 369.509 2.840 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153976390 989787693 /nfs/dbraw/zinc/78/76/93/989787693.db2.gz ZFVUXUWOYRCNGD-OAHLLOKOSA-N 2 2 367.497 2.521 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153976390 989787698 /nfs/dbraw/zinc/78/76/98/989787698.db2.gz ZFVUXUWOYRCNGD-OAHLLOKOSA-N 2 2 367.497 2.521 20 30 FFEDLP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034211995 989965203 /nfs/dbraw/zinc/96/52/03/989965203.db2.gz FOSOYBAEQJEIQB-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034211995 989965210 /nfs/dbraw/zinc/96/52/10/989965210.db2.gz FOSOYBAEQJEIQB-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)C[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001484557046 991673819 /nfs/dbraw/zinc/67/38/19/991673819.db2.gz DODAEHAAFJRRQR-RTBURBONSA-N 2 2 352.482 2.848 20 30 FFEDLP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001484557046 991673825 /nfs/dbraw/zinc/67/38/25/991673825.db2.gz DODAEHAAFJRRQR-RTBURBONSA-N 2 2 352.482 2.848 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC[C@H]1c1ccc(F)cc1 ZINC001079160284 991864142 /nfs/dbraw/zinc/86/41/42/991864142.db2.gz LGOKNYOVZNLBPH-RYGJVYDSSA-N 2 2 370.472 2.888 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC001079160284 991864151 /nfs/dbraw/zinc/86/41/51/991864151.db2.gz LGOKNYOVZNLBPH-RYGJVYDSSA-N 2 2 370.472 2.888 20 30 FFEDLP CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001485784796 992019780 /nfs/dbraw/zinc/01/97/80/992019780.db2.gz BGVRGYNCPNQYGC-VAMGGRTRSA-N 2 2 364.493 2.685 20 30 FFEDLP CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC#Cc1ccccc1 ZINC001485784796 992019790 /nfs/dbraw/zinc/01/97/90/992019790.db2.gz BGVRGYNCPNQYGC-VAMGGRTRSA-N 2 2 364.493 2.685 20 30 FFEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751846 992138117 /nfs/dbraw/zinc/13/81/17/992138117.db2.gz WXSZHICCTWGRQA-KURKYZTESA-N 2 2 356.514 2.557 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751846 992138120 /nfs/dbraw/zinc/13/81/20/992138120.db2.gz WXSZHICCTWGRQA-KURKYZTESA-N 2 2 356.514 2.557 20 30 FFEDLP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000879947357 1015714705 /nfs/dbraw/zinc/71/47/05/1015714705.db2.gz FZVQQLCUBOSSRK-FQEVSTJZSA-N 2 2 371.525 2.833 20 30 FFEDLP Cc1oc(NC(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(C#N)c1C ZINC000880568938 1015874588 /nfs/dbraw/zinc/87/45/88/1015874588.db2.gz HMPWQYBHASUVAT-GOSISDBHSA-N 2 2 363.421 2.934 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488150 996608300 /nfs/dbraw/zinc/60/83/00/996608300.db2.gz MTMZIXOBKQRPJA-TZIWHRDSSA-N 2 2 371.444 2.552 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084488150 996608305 /nfs/dbraw/zinc/60/83/05/996608305.db2.gz MTMZIXOBKQRPJA-TZIWHRDSSA-N 2 2 371.444 2.552 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001090870806 997496007 /nfs/dbraw/zinc/49/60/07/997496007.db2.gz NZGXORKKMBWNOE-RBUKOAKNSA-N 2 2 368.481 2.511 20 30 FFEDLP C#Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)cc1 ZINC001144568032 998659201 /nfs/dbraw/zinc/65/92/01/998659201.db2.gz ITBWXJRMRZFLJB-HXUWFJFHSA-N 2 2 354.494 2.907 20 30 FFEDLP C#Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)cc1 ZINC001144568032 998659204 /nfs/dbraw/zinc/65/92/04/998659204.db2.gz ITBWXJRMRZFLJB-HXUWFJFHSA-N 2 2 354.494 2.907 20 30 FFEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001112862363 1001787750 /nfs/dbraw/zinc/78/77/50/1001787750.db2.gz HGPALGQNPQPXJD-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183835358 1002405624 /nfs/dbraw/zinc/40/56/24/1002405624.db2.gz KYOKYFDXCGMAQP-NHCUHLMSSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183835358 1002405630 /nfs/dbraw/zinc/40/56/30/1002405630.db2.gz KYOKYFDXCGMAQP-NHCUHLMSSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183835358 1002405633 /nfs/dbraw/zinc/40/56/33/1002405633.db2.gz KYOKYFDXCGMAQP-NHCUHLMSSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183835358 1002405637 /nfs/dbraw/zinc/40/56/37/1002405637.db2.gz KYOKYFDXCGMAQP-NHCUHLMSSA-N 2 2 368.525 2.854 20 30 FFEDLP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001183839241 1002406820 /nfs/dbraw/zinc/40/68/20/1002406820.db2.gz UDWGGGRYTBBMBH-WOJBJXKFSA-N 2 2 354.498 2.513 20 30 FFEDLP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001183839241 1002406824 /nfs/dbraw/zinc/40/68/24/1002406824.db2.gz UDWGGGRYTBBMBH-WOJBJXKFSA-N 2 2 354.498 2.513 20 30 FFEDLP C[NH+]1CCC[C@@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183839241 1002406830 /nfs/dbraw/zinc/40/68/30/1002406830.db2.gz UDWGGGRYTBBMBH-WOJBJXKFSA-N 2 2 354.498 2.513 20 30 FFEDLP C[NH+]1CCC[C@@H]1CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183839241 1002406833 /nfs/dbraw/zinc/40/68/33/1002406833.db2.gz UDWGGGRYTBBMBH-WOJBJXKFSA-N 2 2 354.498 2.513 20 30 FFEDLP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1OC ZINC001198760030 1004732170 /nfs/dbraw/zinc/73/21/70/1004732170.db2.gz PTOHUGHEBBDALW-ZHALLVOQSA-N 2 2 368.481 2.935 20 30 FFEDLP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1OC ZINC001198760030 1004732173 /nfs/dbraw/zinc/73/21/73/1004732173.db2.gz PTOHUGHEBBDALW-ZHALLVOQSA-N 2 2 368.481 2.935 20 30 FFEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001170841661 1007170446 /nfs/dbraw/zinc/17/04/46/1007170446.db2.gz KDSMTBBTYXLORF-GUDVDZBRSA-N 2 2 358.530 2.995 20 30 FFEDLP Cc1ccc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000863465369 1010217356 /nfs/dbraw/zinc/21/73/56/1010217356.db2.gz CQYACGWPKUKCGO-FQEVSTJZSA-N 2 2 364.449 2.766 20 30 FFEDLP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093374103 1010234582 /nfs/dbraw/zinc/23/45/82/1010234582.db2.gz ZOGFSAGLDFDDCB-ZHALLVOQSA-N 2 2 354.498 2.792 20 30 FFEDLP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093374103 1010234591 /nfs/dbraw/zinc/23/45/91/1010234591.db2.gz ZOGFSAGLDFDDCB-ZHALLVOQSA-N 2 2 354.498 2.792 20 30 FFEDLP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093374103 1010234601 /nfs/dbraw/zinc/23/46/01/1010234601.db2.gz ZOGFSAGLDFDDCB-ZHALLVOQSA-N 2 2 354.498 2.792 20 30 FFEDLP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093374103 1010234610 /nfs/dbraw/zinc/23/46/10/1010234610.db2.gz ZOGFSAGLDFDDCB-ZHALLVOQSA-N 2 2 354.498 2.792 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001095406161 1010454314 /nfs/dbraw/zinc/45/43/14/1010454314.db2.gz OJSDHPQQGRGRST-GRGSLBFTSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001095406161 1010454320 /nfs/dbraw/zinc/45/43/20/1010454320.db2.gz OJSDHPQQGRGRST-GRGSLBFTSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095406161 1010454325 /nfs/dbraw/zinc/45/43/25/1010454325.db2.gz OJSDHPQQGRGRST-GRGSLBFTSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095406161 1010454333 /nfs/dbraw/zinc/45/43/33/1010454333.db2.gz OJSDHPQQGRGRST-GRGSLBFTSA-N 2 2 372.538 2.714 20 30 FFEDLP C=CCN1CCC2(CC[NH+](Cc3cccc(-n4cc[nH+]c4)c3)CC2)C1=O ZINC001275078320 1011898708 /nfs/dbraw/zinc/89/87/08/1011898708.db2.gz IMDGBDQGVGKRKW-UHFFFAOYSA-N 2 2 350.466 2.873 20 30 FFEDLP CC[NH+](CC)C1CCC([NH2+][C@H](Cc2ccc(C#N)cc2)C(=O)OC)CC1 ZINC001173108633 1012254102 /nfs/dbraw/zinc/25/41/02/1012254102.db2.gz QTKZJFRUAUCKBB-SOAGJPPSSA-N 2 2 357.498 2.885 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000303908845 1012515413 /nfs/dbraw/zinc/51/54/13/1012515413.db2.gz XVAGTXAZNJORTG-QGZVFWFLSA-N 2 2 360.433 2.872 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000303908929 1012516482 /nfs/dbraw/zinc/51/64/82/1012516482.db2.gz XYPJXDHSSSWCPX-QGZVFWFLSA-N 2 2 367.497 2.633 20 30 FFEDLP C[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Cc1ccc(F)cc1 ZINC000304756504 1012863677 /nfs/dbraw/zinc/86/36/77/1012863677.db2.gz ZVFMVIYVYATYQJ-UHFFFAOYSA-N 2 2 372.444 2.846 20 30 FFEDLP C[N@@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Cc1ccc(F)cc1 ZINC000304756504 1012863688 /nfs/dbraw/zinc/86/36/88/1012863688.db2.gz ZVFMVIYVYATYQJ-UHFFFAOYSA-N 2 2 372.444 2.846 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[N@@H+]1C ZINC000123640704 1012980342 /nfs/dbraw/zinc/98/03/42/1012980342.db2.gz SSILJLFAPGVWCC-HYVNUMGLSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[N@H+]1C ZINC000123640704 1012980352 /nfs/dbraw/zinc/98/03/52/1012980352.db2.gz SSILJLFAPGVWCC-HYVNUMGLSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[NH+]1C ZINC000123640704 1012980361 /nfs/dbraw/zinc/98/03/61/1012980361.db2.gz SSILJLFAPGVWCC-HYVNUMGLSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[NH+]1C ZINC000123640704 1012980365 /nfs/dbraw/zinc/98/03/65/1012980365.db2.gz SSILJLFAPGVWCC-HYVNUMGLSA-N 2 2 363.465 2.638 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097576798 1017653559 /nfs/dbraw/zinc/65/35/59/1017653559.db2.gz AWYXSCSFWZPFKL-QRQLOZEOSA-N 2 2 361.917 2.878 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001097576798 1017653565 /nfs/dbraw/zinc/65/35/65/1017653565.db2.gz AWYXSCSFWZPFKL-QRQLOZEOSA-N 2 2 361.917 2.878 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(C)([NH+](C)C)CC2)c(OC)c1 ZINC000931347789 1020434312 /nfs/dbraw/zinc/43/43/12/1020434312.db2.gz AHWYVOQGTDXPEU-GOSISDBHSA-N 2 2 362.514 2.580 20 30 FFEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001098461508 1020929319 /nfs/dbraw/zinc/92/93/19/1020929319.db2.gz DUGPHTXHDXINKO-DQEVTTJGSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001098461508 1020929320 /nfs/dbraw/zinc/92/93/20/1020929320.db2.gz DUGPHTXHDXINKO-DQEVTTJGSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001098461508 1020929323 /nfs/dbraw/zinc/92/93/23/1020929323.db2.gz DUGPHTXHDXINKO-DQEVTTJGSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001098461508 1020929327 /nfs/dbraw/zinc/92/93/27/1020929327.db2.gz DUGPHTXHDXINKO-DQEVTTJGSA-N 2 2 372.538 2.716 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001101244302 1024173501 /nfs/dbraw/zinc/17/35/01/1024173501.db2.gz IKRHXJFLMOHCHW-UTKZUKDTSA-N 2 2 356.514 2.508 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001101244302 1024173513 /nfs/dbraw/zinc/17/35/13/1024173513.db2.gz IKRHXJFLMOHCHW-UTKZUKDTSA-N 2 2 356.514 2.508 20 30 FFEDLP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001218696454 1033286047 /nfs/dbraw/zinc/28/60/47/1033286047.db2.gz BZVSXNJEYFDDAS-GBESFXJTSA-N 2 2 362.518 2.716 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001218696454 1033286033 /nfs/dbraw/zinc/28/60/33/1033286033.db2.gz BZVSXNJEYFDDAS-GBESFXJTSA-N 2 2 362.518 2.716 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637319 1027845450 /nfs/dbraw/zinc/84/54/50/1027845450.db2.gz HIVGUZVEKBTGAL-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637319 1027845470 /nfs/dbraw/zinc/84/54/70/1027845470.db2.gz HIVGUZVEKBTGAL-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112171512 1030141366 /nfs/dbraw/zinc/14/13/66/1030141366.db2.gz MJWSIHLQSJDKPN-RBSFLKMASA-N 2 2 358.408 2.779 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112215558 1030260424 /nfs/dbraw/zinc/26/04/24/1030260424.db2.gz HAHKVLKCGZUUOK-HUUCEWRRSA-N 2 2 358.408 2.608 20 30 FFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001112361890 1030659695 /nfs/dbraw/zinc/65/96/95/1030659695.db2.gz MKMJESPUEWVQOL-UWJYYQICSA-N 2 2 356.514 2.556 20 30 FFEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001112418218 1030778176 /nfs/dbraw/zinc/77/81/76/1030778176.db2.gz OQFJJBDEJSUSAU-ZVDOUQERSA-N 2 2 356.514 2.712 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(O)c(OCC)c2)CC1 ZINC001204137092 1031124284 /nfs/dbraw/zinc/12/42/84/1031124284.db2.gz WBVFEIADOJQXTR-UHFFFAOYSA-N 2 2 359.514 2.583 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1c1ccc(F)cc1 ZINC001205318774 1031668219 /nfs/dbraw/zinc/66/82/19/1031668219.db2.gz QSQFKQDGEGGXSJ-ZWKOTPCHSA-N 2 2 356.445 2.642 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1ccccc1F ZINC001205619374 1031875898 /nfs/dbraw/zinc/87/58/98/1031875898.db2.gz BYOVIICAEWSSBU-PKOBYXMFSA-N 2 2 356.445 2.642 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001205619374 1031875906 /nfs/dbraw/zinc/87/59/06/1031875906.db2.gz BYOVIICAEWSSBU-PKOBYXMFSA-N 2 2 356.445 2.642 20 30 FFEDLP C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219483383 1033665149 /nfs/dbraw/zinc/66/51/49/1033665149.db2.gz VXTYMMRUIZZNBW-UHFFFAOYSA-N 2 2 363.965 2.849 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220778718 1034394637 /nfs/dbraw/zinc/39/46/37/1034394637.db2.gz DRKZVRPUKGAKCI-NNWRFLSQSA-N 2 2 366.509 2.833 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220778718 1034394650 /nfs/dbraw/zinc/39/46/50/1034394650.db2.gz DRKZVRPUKGAKCI-NNWRFLSQSA-N 2 2 366.509 2.833 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)c(F)c1 ZINC001225946157 1034463788 /nfs/dbraw/zinc/46/37/88/1034463788.db2.gz CRTVCXJYXRSHIO-QZTJIDSGSA-N 2 2 369.444 2.570 20 30 FFEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001225947645 1034466578 /nfs/dbraw/zinc/46/65/78/1034466578.db2.gz ZKCSUGVPEHRENE-QZTJIDSGSA-N 2 2 369.444 2.570 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001221655917 1034953189 /nfs/dbraw/zinc/95/31/89/1034953189.db2.gz BVBNDJOYSWGBRQ-IPMKNSEASA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001221655917 1034953193 /nfs/dbraw/zinc/95/31/93/1034953193.db2.gz BVBNDJOYSWGBRQ-IPMKNSEASA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001221942671 1035170716 /nfs/dbraw/zinc/17/07/16/1035170716.db2.gz VEOCKMNUFQFDSQ-SQGPQFPESA-N 2 2 365.481 2.768 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001221942671 1035170719 /nfs/dbraw/zinc/17/07/19/1035170719.db2.gz VEOCKMNUFQFDSQ-SQGPQFPESA-N 2 2 365.481 2.768 20 30 FFEDLP N#Cc1ccc(F)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001139648093 1035188397 /nfs/dbraw/zinc/18/83/97/1035188397.db2.gz XKMOEAZIGKHETK-UHFFFAOYSA-N 2 2 353.445 2.548 20 30 FFEDLP C=CCC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1cccnc1 ZINC001230849330 1037375202 /nfs/dbraw/zinc/37/52/02/1037375202.db2.gz MDBDFDGXLFPUCS-RTBURBONSA-N 2 2 367.497 2.503 20 30 FFEDLP C=CCC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1cccnc1 ZINC001230849330 1037375223 /nfs/dbraw/zinc/37/52/23/1037375223.db2.gz MDBDFDGXLFPUCS-RTBURBONSA-N 2 2 367.497 2.503 20 30 FFEDLP CCOC(=O)C1CC[NH+](C2CC[NH+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC001208925468 1038591077 /nfs/dbraw/zinc/59/10/77/1038591077.db2.gz CNCSQEFZUNQVTM-UHFFFAOYSA-N 2 2 369.509 2.840 20 30 FFEDLP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC4CC[NH+](CC4)C3)CC2)C1 ZINC001254851467 1041005647 /nfs/dbraw/zinc/00/56/47/1041005647.db2.gz BJBMDVMUZHXAMT-IBGZPJMESA-N 2 2 361.530 2.971 20 30 FFEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001261502511 1041276342 /nfs/dbraw/zinc/27/63/42/1041276342.db2.gz OXLREVODNMTSPH-HNNXBMFYSA-N 2 2 354.458 2.508 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001264064952 1042609371 /nfs/dbraw/zinc/60/93/71/1042609371.db2.gz IBNWEPKQJCOJKV-UIAACRFSSA-N 2 2 365.481 2.629 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001264064952 1042609375 /nfs/dbraw/zinc/60/93/75/1042609375.db2.gz IBNWEPKQJCOJKV-UIAACRFSSA-N 2 2 365.481 2.629 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001339528154 1043457722 /nfs/dbraw/zinc/45/77/22/1043457722.db2.gz DHDJNWNMEPJFHK-ROUUACIJSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001339528154 1043457725 /nfs/dbraw/zinc/45/77/25/1043457725.db2.gz DHDJNWNMEPJFHK-ROUUACIJSA-N 2 2 358.534 2.686 20 30 FFEDLP O=C(NC1CCC([NH2+]CC#Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317216679 1045066413 /nfs/dbraw/zinc/06/64/13/1045066413.db2.gz DCJIVLHFQSPZFY-NTFDOXNWSA-N 2 2 362.477 2.582 20 30 FFEDLP O=C(NC1CCC([NH2+]CC#Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317216679 1045066426 /nfs/dbraw/zinc/06/64/26/1045066426.db2.gz DCJIVLHFQSPZFY-NTFDOXNWSA-N 2 2 362.477 2.582 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001340390449 1050784196 /nfs/dbraw/zinc/78/41/96/1050784196.db2.gz PUDSERRJUFVMQF-RBUKOAKNSA-N 2 2 372.561 2.933 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001340390449 1050784211 /nfs/dbraw/zinc/78/42/11/1050784211.db2.gz PUDSERRJUFVMQF-RBUKOAKNSA-N 2 2 372.561 2.933 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1CC)[NH+](C)C ZINC001316739085 1051984588 /nfs/dbraw/zinc/98/45/88/1051984588.db2.gz NFERKAVGNSYZFN-OTWHNJEPSA-N 2 2 360.477 2.507 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1CC)[NH+](C)C ZINC001316739085 1051984596 /nfs/dbraw/zinc/98/45/96/1051984596.db2.gz NFERKAVGNSYZFN-OTWHNJEPSA-N 2 2 360.477 2.507 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)Cc3ccc(F)cc3)CC2)c1 ZINC001356623280 1055620362 /nfs/dbraw/zinc/62/03/62/1055620362.db2.gz YJZPUTCGKYMBHT-QFIPXVFZSA-N 2 2 367.468 2.855 20 30 FFEDLP Cn1c[nH+]cc1C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC001460958526 1061165263 /nfs/dbraw/zinc/16/52/63/1061165263.db2.gz FZXWJFSVEIGEPE-LJQANCHMSA-N 2 2 363.465 2.667 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001523992152 1062681646 /nfs/dbraw/zinc/68/16/46/1062681646.db2.gz PDRCBVVSVVMOAX-OALUTQOASA-N 2 2 372.561 2.933 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001523992152 1062681653 /nfs/dbraw/zinc/68/16/53/1062681653.db2.gz PDRCBVVSVVMOAX-OALUTQOASA-N 2 2 372.561 2.933 20 30 FFEDLP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000331578559 258191535 /nfs/dbraw/zinc/19/15/35/258191535.db2.gz RANGOASGHSFBAH-FFZOFVMBSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000331578559 258191536 /nfs/dbraw/zinc/19/15/36/258191536.db2.gz RANGOASGHSFBAH-FFZOFVMBSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000331578559 258191537 /nfs/dbraw/zinc/19/15/37/258191537.db2.gz RANGOASGHSFBAH-FFZOFVMBSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000331578559 258191538 /nfs/dbraw/zinc/19/15/38/258191538.db2.gz RANGOASGHSFBAH-FFZOFVMBSA-N 2 2 354.498 2.858 20 30 FFEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430623 258138319 /nfs/dbraw/zinc/13/83/19/258138319.db2.gz KCPDTBOHHQWJGI-TZIWHRDSSA-N 2 2 366.509 2.717 20 30 FFEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430623 258138320 /nfs/dbraw/zinc/13/83/20/258138320.db2.gz KCPDTBOHHQWJGI-TZIWHRDSSA-N 2 2 366.509 2.717 20 30 FFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430623 258138321 /nfs/dbraw/zinc/13/83/21/258138321.db2.gz KCPDTBOHHQWJGI-TZIWHRDSSA-N 2 2 366.509 2.717 20 30 FFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430623 258138322 /nfs/dbraw/zinc/13/83/22/258138322.db2.gz KCPDTBOHHQWJGI-TZIWHRDSSA-N 2 2 366.509 2.717 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cn2ccccc2[nH+]1)C(C)C ZINC000043476465 506747208 /nfs/dbraw/zinc/74/72/08/506747208.db2.gz KCKOJIAPJNKVBI-GOSISDBHSA-N 2 2 355.486 2.832 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000090004172 507900320 /nfs/dbraw/zinc/90/03/20/507900320.db2.gz QRQUQINFOVMXDJ-INIZCTEOSA-N 2 2 362.437 2.796 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000090004172 507900321 /nfs/dbraw/zinc/90/03/21/507900321.db2.gz QRQUQINFOVMXDJ-INIZCTEOSA-N 2 2 362.437 2.796 20 30 FFEDLP C=CC[C@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000373515470 512372042 /nfs/dbraw/zinc/37/20/42/512372042.db2.gz YRRMLXPHZWBCRD-NQIIRXRSSA-N 2 2 355.526 2.973 20 30 FFEDLP C=CC[C@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000373515470 512372048 /nfs/dbraw/zinc/37/20/48/512372048.db2.gz YRRMLXPHZWBCRD-NQIIRXRSSA-N 2 2 355.526 2.973 20 30 FFEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000093302122 508137185 /nfs/dbraw/zinc/13/71/85/508137185.db2.gz RQVNYNREADDYHC-INIZCTEOSA-N 2 2 367.497 2.996 20 30 FFEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113334920 508261639 /nfs/dbraw/zinc/26/16/39/508261639.db2.gz UWTZGUZWHJTDMD-FQEVSTJZSA-N 2 2 367.497 2.664 20 30 FFEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113334920 508261641 /nfs/dbraw/zinc/26/16/41/508261641.db2.gz UWTZGUZWHJTDMD-FQEVSTJZSA-N 2 2 367.497 2.664 20 30 FFEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(OC)cc1 ZINC000114455512 508315737 /nfs/dbraw/zinc/31/57/37/508315737.db2.gz MLMFDULIJYUYDS-UHFFFAOYSA-N 2 2 359.514 2.672 20 30 FFEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(OC)cc1 ZINC000114455512 508315739 /nfs/dbraw/zinc/31/57/39/508315739.db2.gz MLMFDULIJYUYDS-UHFFFAOYSA-N 2 2 359.514 2.672 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480957 508320442 /nfs/dbraw/zinc/32/04/42/508320442.db2.gz GWOTVAMYEMPNJI-GOSISDBHSA-N 2 2 356.514 2.591 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480957 508320444 /nfs/dbraw/zinc/32/04/44/508320444.db2.gz GWOTVAMYEMPNJI-GOSISDBHSA-N 2 2 356.514 2.591 20 30 FFEDLP NC(=[NH+]OCc1nc(C2CC2)no1)c1ccccc1C[NH+]1CCCCC1 ZINC000123426077 508684987 /nfs/dbraw/zinc/68/49/87/508684987.db2.gz NBTOOEVCFGRRDQ-UHFFFAOYSA-N 2 2 355.442 2.770 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000247955821 509200317 /nfs/dbraw/zinc/20/03/17/509200317.db2.gz FOFZHWSEDVKMHK-PZJWPPBQSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000247955821 509200321 /nfs/dbraw/zinc/20/03/21/509200321.db2.gz FOFZHWSEDVKMHK-PZJWPPBQSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000247955821 509200330 /nfs/dbraw/zinc/20/03/30/509200330.db2.gz FOFZHWSEDVKMHK-PZJWPPBQSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1C ZINC000247955821 509200333 /nfs/dbraw/zinc/20/03/33/509200333.db2.gz FOFZHWSEDVKMHK-PZJWPPBQSA-N 2 2 368.525 2.966 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC000264444834 509531229 /nfs/dbraw/zinc/53/12/29/509531229.db2.gz XKEZLTZRWOSYLN-UHFFFAOYSA-N 2 2 371.529 2.768 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173619918 509678462 /nfs/dbraw/zinc/67/84/62/509678462.db2.gz RYEJWLWPPQQZQV-KRWDZBQOSA-N 2 2 372.513 2.793 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000176957092 509785004 /nfs/dbraw/zinc/78/50/04/509785004.db2.gz TWGHNKMBHFDQNG-UHFFFAOYSA-N 2 2 357.479 2.621 20 30 FFEDLP CC/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262019858 510150878 /nfs/dbraw/zinc/15/08/78/510150878.db2.gz YMOMRGOWIMYXNB-GOEBONIOSA-N 2 2 371.514 2.641 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC000171709786 510324843 /nfs/dbraw/zinc/32/48/43/510324843.db2.gz RZDUKBLXBDYQRJ-UHFFFAOYSA-N 2 2 371.529 2.912 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCN3CCCCCC3=O)CC2)cc1 ZINC000181405026 510393568 /nfs/dbraw/zinc/39/35/68/510393568.db2.gz RSINZNHLAAJMQV-UHFFFAOYSA-N 2 2 368.525 2.905 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNC(=O)c3cccs3)CC2)cc1 ZINC000181522961 510454316 /nfs/dbraw/zinc/45/43/16/510454316.db2.gz YLNBPBBZFDIUPI-UHFFFAOYSA-N 2 2 368.506 2.604 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247321789 510856967 /nfs/dbraw/zinc/85/69/67/510856967.db2.gz WFIOBNFGHQBOCU-VGEYWCCESA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247321789 510856968 /nfs/dbraw/zinc/85/69/68/510856968.db2.gz WFIOBNFGHQBOCU-VGEYWCCESA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247321789 510856969 /nfs/dbraw/zinc/85/69/69/510856969.db2.gz WFIOBNFGHQBOCU-VGEYWCCESA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247321789 510856970 /nfs/dbraw/zinc/85/69/70/510856970.db2.gz WFIOBNFGHQBOCU-VGEYWCCESA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@H]1C[NH+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000285576762 510964012 /nfs/dbraw/zinc/96/40/12/510964012.db2.gz IJCOUOZXPFKWHB-ROUUACIJSA-N 2 2 356.514 2.616 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000271573155 511249418 /nfs/dbraw/zinc/24/94/18/511249418.db2.gz QBDNUCVTULLBCB-QGZVFWFLSA-N 2 2 353.470 2.571 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000271573155 511249424 /nfs/dbraw/zinc/24/94/24/511249424.db2.gz QBDNUCVTULLBCB-QGZVFWFLSA-N 2 2 353.470 2.571 20 30 FFEDLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000329382229 512036738 /nfs/dbraw/zinc/03/67/38/512036738.db2.gz OAWZSRNLLIQADW-NVXWUHKLSA-N 2 2 361.877 2.865 20 30 FFEDLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000329382229 512036745 /nfs/dbraw/zinc/03/67/45/512036745.db2.gz OAWZSRNLLIQADW-NVXWUHKLSA-N 2 2 361.877 2.865 20 30 FFEDLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000329523305 512063767 /nfs/dbraw/zinc/06/37/67/512063767.db2.gz GKHRCHUNEHRTHS-PKOBYXMFSA-N 2 2 353.470 2.702 20 30 FFEDLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000329523305 512063771 /nfs/dbraw/zinc/06/37/71/512063771.db2.gz GKHRCHUNEHRTHS-PKOBYXMFSA-N 2 2 353.470 2.702 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282096755 512075411 /nfs/dbraw/zinc/07/54/11/512075411.db2.gz PBDSLHJKLCISAM-QZTJIDSGSA-N 2 2 356.514 2.988 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282096755 512075413 /nfs/dbraw/zinc/07/54/13/512075413.db2.gz PBDSLHJKLCISAM-QZTJIDSGSA-N 2 2 356.514 2.988 20 30 FFEDLP C[NH+]1CCC(CNc2cccc(C#N)c2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000450359415 513158803 /nfs/dbraw/zinc/15/88/03/513158803.db2.gz WFOPYRWWIITFJP-UHFFFAOYSA-N 2 2 357.458 2.829 20 30 FFEDLP Cc1cc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1C#N ZINC000443981650 514089681 /nfs/dbraw/zinc/08/96/81/514089681.db2.gz FQKMVPIYERJAAQ-UHFFFAOYSA-N 2 2 362.477 2.544 20 30 FFEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107236 514194610 /nfs/dbraw/zinc/19/46/10/514194610.db2.gz APWMLBQQBHADIJ-UHFFFAOYSA-N 2 2 374.451 2.678 20 30 FFEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107236 514194619 /nfs/dbraw/zinc/19/46/19/514194619.db2.gz APWMLBQQBHADIJ-UHFFFAOYSA-N 2 2 374.451 2.678 20 30 FFEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1OC ZINC000414890348 514342776 /nfs/dbraw/zinc/34/27/76/514342776.db2.gz HFZPIOYJSLGCTM-CQSZACIVSA-N 2 2 355.276 2.849 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196841 515241986 /nfs/dbraw/zinc/24/19/86/515241986.db2.gz XZORPVVPTITEGZ-CZAAIQMYSA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196841 515241995 /nfs/dbraw/zinc/24/19/95/515241995.db2.gz XZORPVVPTITEGZ-CZAAIQMYSA-N 2 2 362.477 2.585 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481199146 515244209 /nfs/dbraw/zinc/24/42/09/515244209.db2.gz OTTHUBHXEIDREB-GWOFKNCZSA-N 2 2 370.541 2.930 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481199146 515244216 /nfs/dbraw/zinc/24/42/16/515244216.db2.gz OTTHUBHXEIDREB-GWOFKNCZSA-N 2 2 370.541 2.930 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512254557 516213057 /nfs/dbraw/zinc/21/30/57/516213057.db2.gz XAZMEVVEHINZDS-DENIHFKCSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512254557 516213064 /nfs/dbraw/zinc/21/30/64/516213064.db2.gz XAZMEVVEHINZDS-DENIHFKCSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512254557 516213071 /nfs/dbraw/zinc/21/30/71/516213071.db2.gz XAZMEVVEHINZDS-DENIHFKCSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512254557 516213076 /nfs/dbraw/zinc/21/30/76/516213076.db2.gz XAZMEVVEHINZDS-DENIHFKCSA-N 2 2 368.525 2.593 20 30 FFEDLP N#Cc1cccc(CNC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543990166 516529790 /nfs/dbraw/zinc/52/97/90/516529790.db2.gz UCUSXGLZKBVPEL-UHFFFAOYSA-N 2 2 365.481 2.563 20 30 FFEDLP CC[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@@H+]1CCc2ccccc2C1 ZINC000555552107 516973312 /nfs/dbraw/zinc/97/33/12/516973312.db2.gz GYCWSEQCXIODTH-FQEVSTJZSA-N 2 2 360.465 2.527 20 30 FFEDLP CC[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@H+]1CCc2ccccc2C1 ZINC000555552107 516973317 /nfs/dbraw/zinc/97/33/17/516973317.db2.gz GYCWSEQCXIODTH-FQEVSTJZSA-N 2 2 360.465 2.527 20 30 FFEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000515365624 517320109 /nfs/dbraw/zinc/32/01/09/517320109.db2.gz UBPVPQMKHRNHFD-UXHICEINSA-N 2 2 362.433 2.602 20 30 FFEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000515365624 517320114 /nfs/dbraw/zinc/32/01/14/517320114.db2.gz UBPVPQMKHRNHFD-UXHICEINSA-N 2 2 362.433 2.602 20 30 FFEDLP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000563083123 517646780 /nfs/dbraw/zinc/64/67/80/517646780.db2.gz RGLSFBHVSDYMRN-YJBOKZPZSA-N 2 2 366.469 2.534 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000568190708 518915983 /nfs/dbraw/zinc/91/59/83/518915983.db2.gz MJLCSKDOYUOWSO-AWEZNQCLSA-N 2 2 358.408 2.613 20 30 FFEDLP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000583254983 519155966 /nfs/dbraw/zinc/15/59/66/519155966.db2.gz HXDOGNRVRUQVMB-UHFFFAOYSA-N 2 2 372.476 2.765 20 30 FFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000583254983 519155974 /nfs/dbraw/zinc/15/59/74/519155974.db2.gz HXDOGNRVRUQVMB-UHFFFAOYSA-N 2 2 372.476 2.765 20 30 FFEDLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[NH+](C)C ZINC000571755394 519259314 /nfs/dbraw/zinc/25/93/14/519259314.db2.gz BIPOICXBMSXGJV-JUXOCIIHSA-N 2 2 367.493 2.887 20 30 FFEDLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594444701 519968501 /nfs/dbraw/zinc/96/85/01/519968501.db2.gz BTQPIGCUZJNCHI-ULQDDVLXSA-N 2 2 366.868 2.752 20 30 FFEDLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594444701 519968511 /nfs/dbraw/zinc/96/85/11/519968511.db2.gz BTQPIGCUZJNCHI-ULQDDVLXSA-N 2 2 366.868 2.752 20 30 FFEDLP N#CCc1cccc2c1CC[N@@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000602917612 519970899 /nfs/dbraw/zinc/97/08/99/519970899.db2.gz OYQWBBIAIIVMOJ-HSZRJFAPSA-N 2 2 361.489 2.748 20 30 FFEDLP N#CCc1cccc2c1CC[N@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000602917612 519970906 /nfs/dbraw/zinc/97/09/06/519970906.db2.gz OYQWBBIAIIVMOJ-HSZRJFAPSA-N 2 2 361.489 2.748 20 30 FFEDLP N#CCc1cccc2c1CC[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000602917612 519970917 /nfs/dbraw/zinc/97/09/17/519970917.db2.gz OYQWBBIAIIVMOJ-HSZRJFAPSA-N 2 2 361.489 2.748 20 30 FFEDLP N#CCc1cccc2c1CC[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000602917612 519970920 /nfs/dbraw/zinc/97/09/20/519970920.db2.gz OYQWBBIAIIVMOJ-HSZRJFAPSA-N 2 2 361.489 2.748 20 30 FFEDLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598612798 520742296 /nfs/dbraw/zinc/74/22/96/520742296.db2.gz DCIDHHAXPCUEIR-JKSUJKDBSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598612798 520742300 /nfs/dbraw/zinc/74/23/00/520742300.db2.gz DCIDHHAXPCUEIR-JKSUJKDBSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598612798 520742305 /nfs/dbraw/zinc/74/23/05/520742305.db2.gz DCIDHHAXPCUEIR-JKSUJKDBSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598612798 520742310 /nfs/dbraw/zinc/74/23/10/520742310.db2.gz DCIDHHAXPCUEIR-JKSUJKDBSA-N 2 2 350.532 2.506 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740937 521117861 /nfs/dbraw/zinc/11/78/61/521117861.db2.gz OJBPLDZHVPTAAG-QAPCUYQASA-N 2 2 363.465 2.908 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740937 521117865 /nfs/dbraw/zinc/11/78/65/521117865.db2.gz OJBPLDZHVPTAAG-QAPCUYQASA-N 2 2 363.465 2.908 20 30 FFEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602456832 521357771 /nfs/dbraw/zinc/35/77/71/521357771.db2.gz YZPZARCTKIMBQK-VQTJNVASSA-N 2 2 355.530 2.855 20 30 FFEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602456832 521357780 /nfs/dbraw/zinc/35/77/80/521357780.db2.gz YZPZARCTKIMBQK-VQTJNVASSA-N 2 2 355.530 2.855 20 30 FFEDLP C[C@H]([NH2+]Cc1cccc(C#N)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000602544520 521403902 /nfs/dbraw/zinc/40/39/02/521403902.db2.gz KLGGQYRODUESNC-HNNXBMFYSA-N 2 2 353.445 2.695 20 30 FFEDLP C[C@H]1CNC(NN=C2CC[N@H+](C)[C@H](c3ccc(Br)cc3)C2)=[NH+]1 ZINC000863105612 730750478 /nfs/dbraw/zinc/75/04/78/730750478.db2.gz VXDOGIAEPMQAEW-NHYWBVRUSA-N 2 2 364.291 2.509 20 30 FFEDLP C[C@H]1CNC(NN=C2CC[N@@H+](C)[C@H](c3ccc(Br)cc3)C2)=[NH+]1 ZINC000863105612 730750480 /nfs/dbraw/zinc/75/04/80/730750480.db2.gz VXDOGIAEPMQAEW-NHYWBVRUSA-N 2 2 364.291 2.509 20 30 FFEDLP CCc1cnc(CCNC(=[NH+]C)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)s1 ZINC000160034703 845687174 /nfs/dbraw/zinc/68/71/74/845687174.db2.gz BKDYYLVCPXRZFT-HOCLYGCPSA-N 2 2 360.531 2.603 20 30 FFEDLP N#Cc1ccc(C[NH2+]C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC001026509382 971616249 /nfs/dbraw/zinc/61/62/49/971616249.db2.gz OOXKIPVBRHKQIT-CSODTCANSA-N 2 2 363.465 2.602 20 30 FFEDLP N#Cc1ccc(C[NH2+]C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC001026509382 971616254 /nfs/dbraw/zinc/61/62/54/971616254.db2.gz OOXKIPVBRHKQIT-CSODTCANSA-N 2 2 363.465 2.602 20 30 FFEDLP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974603512 972036860 /nfs/dbraw/zinc/03/68/60/972036860.db2.gz OGETXYQQTFCBHF-KURKYZTESA-N 2 2 356.514 2.557 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCS[C@@H](C(C)C)C1 ZINC000261748847 963277758 /nfs/dbraw/zinc/27/77/58/963277758.db2.gz LPOYCUJDBAMALD-QGZVFWFLSA-N 2 2 372.542 2.725 20 30 FFEDLP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261942230 964787041 /nfs/dbraw/zinc/78/70/41/964787041.db2.gz DUHMRPIJVFZRAB-GBESFXJTSA-N 3 2 360.550 2.606 20 30 FFEDLP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261942230 964787044 /nfs/dbraw/zinc/78/70/44/964787044.db2.gz DUHMRPIJVFZRAB-GBESFXJTSA-N 3 2 360.550 2.606 20 30 FFEDLP CC[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261956152 964996467 /nfs/dbraw/zinc/99/64/67/964996467.db2.gz IUKADZQGRMZLHF-ZWKOTPCHSA-N 3 2 360.550 2.606 20 30 FFEDLP CC[NH+]=C(NC[C@H](O)c1cccc(C)c1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261974479 965113335 /nfs/dbraw/zinc/11/33/35/965113335.db2.gz NKZNOPCNBJLLCH-IHPCNDPISA-N 2 2 369.513 2.774 20 30 FFEDLP C=CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087470685 965357132 /nfs/dbraw/zinc/35/71/32/965357132.db2.gz QKNRUQUXSADKRD-ACRUOGEOSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001087470685 965357145 /nfs/dbraw/zinc/35/71/45/965357145.db2.gz QKNRUQUXSADKRD-ACRUOGEOSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[NH+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087470685 965357165 /nfs/dbraw/zinc/35/71/65/965357165.db2.gz QKNRUQUXSADKRD-ACRUOGEOSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[NH+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087470685 965357179 /nfs/dbraw/zinc/35/71/79/965357179.db2.gz QKNRUQUXSADKRD-ACRUOGEOSA-N 2 2 371.525 2.640 20 30 FFEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)Nc1ccc2c(c1)OCCCO2 ZINC000104192078 965989085 /nfs/dbraw/zinc/98/90/85/965989085.db2.gz ARGUFSOEQBZIII-UHFFFAOYSA-N 2 2 355.442 2.862 20 30 FFEDLP C=CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)nn1 ZINC000657300468 965998172 /nfs/dbraw/zinc/99/81/72/965998172.db2.gz FVKGEYLBCWOBCG-ROUUACIJSA-N 2 2 369.513 2.753 20 30 FFEDLP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001024445018 968926191 /nfs/dbraw/zinc/92/61/91/968926191.db2.gz GENYJKPTGPTWKT-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001024445018 968926198 /nfs/dbraw/zinc/92/61/98/968926198.db2.gz GENYJKPTGPTWKT-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)COc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)ccc1OC ZINC000668794005 969314377 /nfs/dbraw/zinc/31/43/77/969314377.db2.gz XOPDCZCPORCWHN-UHFFFAOYSA-N 2 2 356.470 2.706 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]2C1 ZINC001088168846 973315277 /nfs/dbraw/zinc/31/52/77/973315277.db2.gz VJIHFBOGBLVNGD-MSOLQXFVSA-N 2 2 365.481 2.627 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]2C1 ZINC001088168846 973315279 /nfs/dbraw/zinc/31/52/79/973315279.db2.gz VJIHFBOGBLVNGD-MSOLQXFVSA-N 2 2 365.481 2.627 20 30 FFEDLP CN(C)C(NCc1ccccc1)=[NH+]CC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000262506346 973932299 /nfs/dbraw/zinc/93/22/99/973932299.db2.gz BNERANIKMOWXKG-UHFFFAOYSA-N 3 2 371.573 2.644 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211676621 974992013 /nfs/dbraw/zinc/99/20/13/974992013.db2.gz PQHHGZHPQSLOSR-YSTOQKLRSA-N 2 2 364.493 2.684 20 30 FFEDLP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001027889092 975682444 /nfs/dbraw/zinc/68/24/44/975682444.db2.gz KEYDBNKGLKKXRQ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001027889092 975682452 /nfs/dbraw/zinc/68/24/52/975682452.db2.gz KEYDBNKGLKKXRQ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001087465105 978316589 /nfs/dbraw/zinc/31/65/89/978316589.db2.gz WFNBOUKHUJDEGV-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001087465105 978316592 /nfs/dbraw/zinc/31/65/92/978316592.db2.gz WFNBOUKHUJDEGV-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001087465105 978316598 /nfs/dbraw/zinc/31/65/98/978316598.db2.gz WFNBOUKHUJDEGV-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001087465105 978316602 /nfs/dbraw/zinc/31/66/02/978316602.db2.gz WFNBOUKHUJDEGV-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088567503 981148870 /nfs/dbraw/zinc/14/88/70/981148870.db2.gz RVEADOVOEJUNFC-XLIONFOSSA-N 2 2 368.525 2.902 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088567503 981148873 /nfs/dbraw/zinc/14/88/73/981148873.db2.gz RVEADOVOEJUNFC-XLIONFOSSA-N 2 2 368.525 2.902 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080541305 993132272 /nfs/dbraw/zinc/13/22/72/993132272.db2.gz OCJTXOAAYWFKHM-VQIMIIECSA-N 2 2 365.481 2.515 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080541305 993132276 /nfs/dbraw/zinc/13/22/76/993132276.db2.gz OCJTXOAAYWFKHM-VQIMIIECSA-N 2 2 365.481 2.515 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1c1cc[nH+]cc1 ZINC000880262548 1015792480 /nfs/dbraw/zinc/79/24/80/1015792480.db2.gz OWCJYXNJHIOSII-OAHLLOKOSA-N 2 2 360.421 2.714 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1c1cc[nH+]cc1 ZINC000880262548 1015792485 /nfs/dbraw/zinc/79/24/85/1015792485.db2.gz OWCJYXNJHIOSII-OAHLLOKOSA-N 2 2 360.421 2.714 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1c1ccccc1 ZINC001081134268 993692055 /nfs/dbraw/zinc/69/20/55/993692055.db2.gz ROKQKOAJQBAHGX-VQTJNVASSA-N 2 2 365.477 2.793 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1 ZINC001081135223 993693045 /nfs/dbraw/zinc/69/30/45/993693045.db2.gz LUIWVLJIHHZIBQ-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794062 1016203714 /nfs/dbraw/zinc/20/37/14/1016203714.db2.gz ZFOFTXFHOWKTGU-FQEVSTJZSA-N 2 2 363.461 2.765 20 30 FFEDLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000903823398 1016243483 /nfs/dbraw/zinc/24/34/83/1016243483.db2.gz GGZCIFLBKVRLJF-TZIWHRDSSA-N 2 2 351.450 2.683 20 30 FFEDLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000903823398 1016243490 /nfs/dbraw/zinc/24/34/90/1016243490.db2.gz GGZCIFLBKVRLJF-TZIWHRDSSA-N 2 2 351.450 2.683 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1F ZINC001109466031 1000514556 /nfs/dbraw/zinc/51/45/56/1000514556.db2.gz GMRQPMOYZOUUOS-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1F ZINC001109466031 1000514560 /nfs/dbraw/zinc/51/45/60/1000514560.db2.gz GMRQPMOYZOUUOS-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001109466031 1000514565 /nfs/dbraw/zinc/51/45/65/1000514565.db2.gz GMRQPMOYZOUUOS-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001109466031 1000514569 /nfs/dbraw/zinc/51/45/69/1000514569.db2.gz GMRQPMOYZOUUOS-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001000686755 1016431110 /nfs/dbraw/zinc/43/11/10/1016431110.db2.gz MGRVROGCGGHJAM-UYAOXDASSA-N 2 2 368.525 2.868 20 30 FFEDLP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001000686755 1016431120 /nfs/dbraw/zinc/43/11/20/1016431120.db2.gz MGRVROGCGGHJAM-UYAOXDASSA-N 2 2 368.525 2.868 20 30 FFEDLP C#CC1CC[NH+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001195463219 1004965416 /nfs/dbraw/zinc/96/54/16/1004965416.db2.gz JHMUAXOSRLNXLZ-HXUWFJFHSA-N 2 2 373.928 2.938 20 30 FFEDLP COC(=O)c1ccccc1N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776187028 1005216499 /nfs/dbraw/zinc/21/64/99/1005216499.db2.gz DLICIVGDOBZAMD-UHFFFAOYSA-N 2 2 352.438 2.671 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001489043579 1005392356 /nfs/dbraw/zinc/39/23/56/1005392356.db2.gz IBPZBKYAXMFKQE-CTNGQTDRSA-N 2 2 364.493 2.542 20 30 FFEDLP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)c1 ZINC001095694419 1017007733 /nfs/dbraw/zinc/00/77/33/1017007733.db2.gz ZQLOSAKGAJIMMW-GIVPXCGWSA-N 2 2 371.444 2.741 20 30 FFEDLP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)c1 ZINC001095694419 1017007746 /nfs/dbraw/zinc/00/77/46/1017007746.db2.gz ZQLOSAKGAJIMMW-GIVPXCGWSA-N 2 2 371.444 2.741 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188369550 1006533002 /nfs/dbraw/zinc/53/30/02/1006533002.db2.gz KNNGQBXCDMFZLN-CMKODMSKSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188369550 1006533007 /nfs/dbraw/zinc/53/30/07/1006533007.db2.gz KNNGQBXCDMFZLN-CMKODMSKSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188381528 1006537787 /nfs/dbraw/zinc/53/77/87/1006537787.db2.gz CZZOPDZEGKTUFQ-GBESFXJTSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188381528 1006537798 /nfs/dbraw/zinc/53/77/98/1006537798.db2.gz CZZOPDZEGKTUFQ-GBESFXJTSA-N 2 2 358.530 2.949 20 30 FFEDLP C#Cc1cccc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000817300599 1007531190 /nfs/dbraw/zinc/53/11/90/1007531190.db2.gz BRGYLBRUAFFCCQ-UHFFFAOYSA-N 2 2 354.498 2.692 20 30 FFEDLP C#Cc1cccc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000817300599 1007531195 /nfs/dbraw/zinc/53/11/95/1007531195.db2.gz BRGYLBRUAFFCCQ-UHFFFAOYSA-N 2 2 354.498 2.692 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC001190325569 1007582642 /nfs/dbraw/zinc/58/26/42/1007582642.db2.gz ZQZPFNKBUCCOJB-FUHWJXTLSA-N 2 2 359.539 2.605 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC001190325569 1007582646 /nfs/dbraw/zinc/58/26/46/1007582646.db2.gz ZQZPFNKBUCCOJB-FUHWJXTLSA-N 2 2 359.539 2.605 20 30 FFEDLP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC001190325569 1007582653 /nfs/dbraw/zinc/58/26/53/1007582653.db2.gz ZQZPFNKBUCCOJB-FUHWJXTLSA-N 2 2 359.539 2.605 20 30 FFEDLP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC001190325569 1007582658 /nfs/dbraw/zinc/58/26/58/1007582658.db2.gz ZQZPFNKBUCCOJB-FUHWJXTLSA-N 2 2 359.539 2.605 20 30 FFEDLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001110714892 1008021002 /nfs/dbraw/zinc/02/10/02/1008021002.db2.gz LBWIMAMXEPWXPL-WTGUMLROSA-N 2 2 373.928 2.753 20 30 FFEDLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001110714892 1008021011 /nfs/dbraw/zinc/02/10/11/1008021011.db2.gz LBWIMAMXEPWXPL-WTGUMLROSA-N 2 2 373.928 2.753 20 30 FFEDLP Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C#N)c1C ZINC000859213006 1008488328 /nfs/dbraw/zinc/48/83/28/1008488328.db2.gz DKUFPCONWGTCFG-UHFFFAOYSA-N 2 2 354.454 2.900 20 30 FFEDLP Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C#N)c1C ZINC000859213006 1008488331 /nfs/dbraw/zinc/48/83/31/1008488331.db2.gz DKUFPCONWGTCFG-UHFFFAOYSA-N 2 2 354.454 2.900 20 30 FFEDLP C[C@H](C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)n1cc[nH+]c1 ZINC001177929906 1008801530 /nfs/dbraw/zinc/80/15/30/1008801530.db2.gz UZWSRJRRIPQYCI-ATZDWAIDSA-N 2 2 351.454 2.614 20 30 FFEDLP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866375055 1010984825 /nfs/dbraw/zinc/98/48/25/1010984825.db2.gz QZWFSWZTSPBVON-KRWDZBQOSA-N 2 2 365.477 2.942 20 30 FFEDLP CCCCCCCCC[NH+]1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001275118493 1011961390 /nfs/dbraw/zinc/96/13/90/1011961390.db2.gz DKVFTOHPHGDKLA-UHFFFAOYSA-N 2 2 362.518 2.547 20 30 FFEDLP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001097639096 1017740603 /nfs/dbraw/zinc/74/06/03/1017740603.db2.gz PUDDOSQCACLONH-AQNXPRMDSA-N 2 2 366.509 2.654 20 30 FFEDLP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001097639096 1017740634 /nfs/dbraw/zinc/74/06/34/1017740634.db2.gz PUDDOSQCACLONH-AQNXPRMDSA-N 2 2 366.509 2.654 20 30 FFEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)CC[N@@H+]1C ZINC001097718381 1017839683 /nfs/dbraw/zinc/83/96/83/1017839683.db2.gz ICPCRJSKZOFTNC-KHDMTIDOSA-N 2 2 366.509 2.510 20 30 FFEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)CC[N@H+]1C ZINC001097718381 1017839693 /nfs/dbraw/zinc/83/96/93/1017839693.db2.gz ICPCRJSKZOFTNC-KHDMTIDOSA-N 2 2 366.509 2.510 20 30 FFEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC[NH+]1C ZINC001097718381 1017839710 /nfs/dbraw/zinc/83/97/10/1017839710.db2.gz ICPCRJSKZOFTNC-KHDMTIDOSA-N 2 2 366.509 2.510 20 30 FFEDLP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC[NH+]1C ZINC001097718381 1017839728 /nfs/dbraw/zinc/83/97/28/1017839728.db2.gz ICPCRJSKZOFTNC-KHDMTIDOSA-N 2 2 366.509 2.510 20 30 FFEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)[nH+]1 ZINC001118872578 1022452202 /nfs/dbraw/zinc/45/22/02/1022452202.db2.gz CFTZIXKIVDDSMT-RTBURBONSA-N 2 2 366.465 2.578 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)c3cccc(F)c3)CC2)c1 ZINC001120590006 1023373689 /nfs/dbraw/zinc/37/36/89/1023373689.db2.gz JTDVCAHRHDGHAV-NRFANRHFSA-N 2 2 353.441 2.985 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102105008 1025433187 /nfs/dbraw/zinc/43/31/87/1025433187.db2.gz AURYTGYLCCSRNP-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102105008 1025433194 /nfs/dbraw/zinc/43/31/94/1025433194.db2.gz AURYTGYLCCSRNP-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595616 1026388383 /nfs/dbraw/zinc/38/83/83/1026388383.db2.gz QENZNVMIRQRQDI-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595616 1026388393 /nfs/dbraw/zinc/38/83/93/1026388393.db2.gz QENZNVMIRQRQDI-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595616 1026388407 /nfs/dbraw/zinc/38/84/07/1026388407.db2.gz QENZNVMIRQRQDI-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595616 1026388419 /nfs/dbraw/zinc/38/84/19/1026388419.db2.gz QENZNVMIRQRQDI-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103253662 1027109377 /nfs/dbraw/zinc/10/93/77/1027109377.db2.gz GQUQNPGXBDJABV-VQIMIIECSA-N 2 2 359.514 2.897 20 30 FFEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001103253662 1027109382 /nfs/dbraw/zinc/10/93/82/1027109382.db2.gz GQUQNPGXBDJABV-VQIMIIECSA-N 2 2 359.514 2.897 20 30 FFEDLP COc1cc(C(F)(F)n2c[nH+]cc2C2CC[NH2+]CC2)c(C#N)c(Cl)n1 ZINC001155058350 1028562588 /nfs/dbraw/zinc/56/25/88/1028562588.db2.gz YJYQJLKCCQTCQL-UHFFFAOYSA-N 2 2 367.787 2.876 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205448979 1031755699 /nfs/dbraw/zinc/75/56/99/1031755699.db2.gz OAMVHAQPYQUSCG-ZWKOTPCHSA-N 2 2 370.472 2.987 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001221656099 1034953248 /nfs/dbraw/zinc/95/32/48/1034953248.db2.gz FWAOTTDJEUDJSA-GUDVDZBRSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001221656099 1034953255 /nfs/dbraw/zinc/95/32/55/1034953255.db2.gz FWAOTTDJEUDJSA-GUDVDZBRSA-N 2 2 356.514 2.725 20 30 FFEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763411 1035224207 /nfs/dbraw/zinc/22/42/07/1035224207.db2.gz MCBKLWJIOMHUKZ-OWZKRDHZSA-N 2 2 355.482 2.664 20 30 FFEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139763411 1035224211 /nfs/dbraw/zinc/22/42/11/1035224211.db2.gz MCBKLWJIOMHUKZ-OWZKRDHZSA-N 2 2 355.482 2.664 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OCC)nc2C)CC1 ZINC001232313560 1035575723 /nfs/dbraw/zinc/57/57/23/1035575723.db2.gz AXIFFHUDYBDOKR-UHFFFAOYSA-N 2 2 358.530 2.580 20 30 FFEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)C1=O ZINC001256590086 1038572782 /nfs/dbraw/zinc/57/27/82/1038572782.db2.gz RWFSOAREAMTWMF-QFIPXVFZSA-N 2 2 368.525 2.547 20 30 FFEDLP C=CCN1CC[C@]2(CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)C1=O ZINC001256590086 1038572786 /nfs/dbraw/zinc/57/27/86/1038572786.db2.gz RWFSOAREAMTWMF-QFIPXVFZSA-N 2 2 368.525 2.547 20 30 FFEDLP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](CCc2ccc(C#N)cc2)CC3)n1 ZINC001208927110 1038591612 /nfs/dbraw/zinc/59/16/12/1038591612.db2.gz PKVDVUGAWWTEMZ-UHFFFAOYSA-N 2 2 363.509 2.965 20 30 FFEDLP Cn1ccc(C[N@H+]2CCCC23CC[NH+](CCc2ccc(C#N)cc2)CC3)n1 ZINC001208927110 1038591616 /nfs/dbraw/zinc/59/16/16/1038591616.db2.gz PKVDVUGAWWTEMZ-UHFFFAOYSA-N 2 2 363.509 2.965 20 30 FFEDLP C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256849966 1038634069 /nfs/dbraw/zinc/63/40/69/1038634069.db2.gz QKPQRXIKFSJSSA-NRFANRHFSA-N 2 2 365.477 2.981 20 30 FFEDLP C=CCCCCCC[N@@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001209437187 1038862093 /nfs/dbraw/zinc/86/20/93/1038862093.db2.gz HZGFGKNFOZBKND-UHFFFAOYSA-N 2 2 355.486 2.830 20 30 FFEDLP C=CCCCCCC[N@H+]1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001209437187 1038862111 /nfs/dbraw/zinc/86/21/11/1038862111.db2.gz HZGFGKNFOZBKND-UHFFFAOYSA-N 2 2 355.486 2.830 20 30 FFEDLP C[C@H]1C[C@H]([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)C[NH2+]1 ZINC001246332826 1039316025 /nfs/dbraw/zinc/31/60/25/1039316025.db2.gz JKAUQTQNRXWNTF-UWJYYQICSA-N 2 2 359.473 2.663 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210251717 1039449885 /nfs/dbraw/zinc/44/98/85/1039449885.db2.gz ZGMZQUUFXNUNTH-GPMSIDNRSA-N 2 2 353.470 2.672 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210251717 1039449890 /nfs/dbraw/zinc/44/98/90/1039449890.db2.gz ZGMZQUUFXNUNTH-GPMSIDNRSA-N 2 2 353.470 2.672 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500107 1040614616 /nfs/dbraw/zinc/61/46/16/1040614616.db2.gz MIIINIXEAGJEIU-RCCFBDPRSA-N 2 2 350.507 2.620 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500107 1040614627 /nfs/dbraw/zinc/61/46/27/1040614627.db2.gz MIIINIXEAGJEIU-RCCFBDPRSA-N 2 2 350.507 2.620 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001262952246 1041985362 /nfs/dbraw/zinc/98/53/62/1041985362.db2.gz NVGVNCJWOONWEY-IPMKNSEASA-N 2 2 372.561 2.617 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001263886037 1042508829 /nfs/dbraw/zinc/50/88/29/1042508829.db2.gz WEHPHGVKQWEWTB-RBUKOAKNSA-N 2 2 352.482 2.513 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001263886037 1042508832 /nfs/dbraw/zinc/50/88/32/1042508832.db2.gz WEHPHGVKQWEWTB-RBUKOAKNSA-N 2 2 352.482 2.513 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC001264646289 1042767350 /nfs/dbraw/zinc/76/73/50/1042767350.db2.gz ITTGYPPFMAKKBG-LMMKCTJWSA-N 2 2 357.498 2.768 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC001264646289 1042767353 /nfs/dbraw/zinc/76/73/53/1042767353.db2.gz ITTGYPPFMAKKBG-LMMKCTJWSA-N 2 2 357.498 2.768 20 30 FFEDLP N#Cc1c(F)cc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1F ZINC001279311985 1042995520 /nfs/dbraw/zinc/99/55/20/1042995520.db2.gz GNONPXCHLGQGHR-UHFFFAOYSA-N 2 2 357.408 2.658 20 30 FFEDLP COC(=O)C1(C#N)CC[NH+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)CC1 ZINC001237878665 1043411053 /nfs/dbraw/zinc/41/10/53/1043411053.db2.gz GPYGIBKPSXYNGA-UHFFFAOYSA-N 2 2 353.466 2.967 20 30 FFEDLP CCn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001279688935 1043471375 /nfs/dbraw/zinc/47/13/75/1043471375.db2.gz WKKODKCIDRDGKE-UHFFFAOYSA-N 2 2 352.486 2.591 20 30 FFEDLP CCn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001279688935 1043471382 /nfs/dbraw/zinc/47/13/82/1043471382.db2.gz WKKODKCIDRDGKE-UHFFFAOYSA-N 2 2 352.486 2.591 20 30 FFEDLP CCOC(C)(C)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278212200 1043636636 /nfs/dbraw/zinc/63/66/36/1043636636.db2.gz VJMLVQXYSSLUAK-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP CCOC(C)(C)C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278212200 1043636641 /nfs/dbraw/zinc/63/66/41/1043636641.db2.gz VJMLVQXYSSLUAK-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP CCOC(C)(C)C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278212200 1043636649 /nfs/dbraw/zinc/63/66/49/1043636649.db2.gz VJMLVQXYSSLUAK-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP CCOC(C)(C)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278212200 1043636654 /nfs/dbraw/zinc/63/66/54/1043636654.db2.gz VJMLVQXYSSLUAK-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001345431516 1052444004 /nfs/dbraw/zinc/44/40/04/1052444004.db2.gz WRLNQEJNXRXNNT-FQEVSTJZSA-N 2 2 361.449 2.769 20 30 FFEDLP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001100341260 1056524561 /nfs/dbraw/zinc/52/45/61/1056524561.db2.gz OFBLJGGMIJRULL-LWSMDNFKSA-N 2 2 356.514 2.605 20 30 FFEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001100341397 1056524892 /nfs/dbraw/zinc/52/48/92/1056524892.db2.gz XWOFGNXSAGGGJW-LWSMDNFKSA-N 2 2 356.514 2.605 20 30 FFEDLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)CC1 ZINC001473717443 1065329408 /nfs/dbraw/zinc/32/94/08/1065329408.db2.gz WZCFIKHHLXPTDY-NRFANRHFSA-N 2 2 368.525 2.761 20 30 FFEDLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)CC1 ZINC001473717443 1065329420 /nfs/dbraw/zinc/32/94/20/1065329420.db2.gz WZCFIKHHLXPTDY-NRFANRHFSA-N 2 2 368.525 2.761 20 30 FFEDLP CC(C)C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568330481 1077087599 /nfs/dbraw/zinc/08/75/99/1077087599.db2.gz BEYVRTXFJVTGBA-IPMKNSEASA-N 2 2 365.481 2.706 20 30 FFEDLP CC(C)C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568330481 1077087604 /nfs/dbraw/zinc/08/76/04/1077087604.db2.gz BEYVRTXFJVTGBA-IPMKNSEASA-N 2 2 365.481 2.706 20 30 FFEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430622 258138383 /nfs/dbraw/zinc/13/83/83/258138383.db2.gz KCPDTBOHHQWJGI-PZJWPPBQSA-N 2 2 366.509 2.717 20 30 FFEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430622 258138384 /nfs/dbraw/zinc/13/83/84/258138384.db2.gz KCPDTBOHHQWJGI-PZJWPPBQSA-N 2 2 366.509 2.717 20 30 FFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430622 258138385 /nfs/dbraw/zinc/13/83/85/258138385.db2.gz KCPDTBOHHQWJGI-PZJWPPBQSA-N 2 2 366.509 2.717 20 30 FFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430622 258138386 /nfs/dbraw/zinc/13/83/86/258138386.db2.gz KCPDTBOHHQWJGI-PZJWPPBQSA-N 2 2 366.509 2.717 20 30 FFEDLP N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000066905429 506689384 /nfs/dbraw/zinc/68/93/84/506689384.db2.gz MEMLRIYWKBXIRI-NRFANRHFSA-N 2 2 365.477 2.684 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000090004231 507899973 /nfs/dbraw/zinc/89/99/73/507899973.db2.gz KHRGTNOBHSOVCI-SFHVURJKSA-N 2 2 365.481 2.621 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000090004231 507899975 /nfs/dbraw/zinc/89/99/75/507899975.db2.gz KHRGTNOBHSOVCI-SFHVURJKSA-N 2 2 365.481 2.621 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322015 508012539 /nfs/dbraw/zinc/01/25/39/508012539.db2.gz SEVAPTLAHHGPME-NRFANRHFSA-N 2 2 356.514 2.637 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322015 508012541 /nfs/dbraw/zinc/01/25/41/508012541.db2.gz SEVAPTLAHHGPME-NRFANRHFSA-N 2 2 356.514 2.637 20 30 FFEDLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000130919008 508865237 /nfs/dbraw/zinc/86/52/37/508865237.db2.gz SLGKHKBSPQIKPK-ZDUSSCGKSA-N 2 2 371.510 2.963 20 30 FFEDLP CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266997321 509299360 /nfs/dbraw/zinc/29/93/60/509299360.db2.gz FINFEHAIVOUNAC-UHFFFAOYSA-N 2 2 368.481 2.895 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC000189169113 509446815 /nfs/dbraw/zinc/44/68/15/509446815.db2.gz JXGXLNQBVPIIPN-UHFFFAOYSA-N 2 2 367.493 2.834 20 30 FFEDLP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC000248726762 509453086 /nfs/dbraw/zinc/45/30/86/509453086.db2.gz IHMPOIBGRKQUCA-UXPWSPDFSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC000248726762 509453087 /nfs/dbraw/zinc/45/30/87/509453087.db2.gz IHMPOIBGRKQUCA-UXPWSPDFSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC000248726762 509453090 /nfs/dbraw/zinc/45/30/90/509453090.db2.gz IHMPOIBGRKQUCA-UXPWSPDFSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC000248726762 509453094 /nfs/dbraw/zinc/45/30/94/509453094.db2.gz IHMPOIBGRKQUCA-UXPWSPDFSA-N 2 2 354.498 2.716 20 30 FFEDLP C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173978069 509885615 /nfs/dbraw/zinc/88/56/15/509885615.db2.gz KDCCGEYOZRJOGY-FQEVSTJZSA-N 2 2 362.477 2.951 20 30 FFEDLP C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173978069 509885618 /nfs/dbraw/zinc/88/56/18/509885618.db2.gz KDCCGEYOZRJOGY-FQEVSTJZSA-N 2 2 362.477 2.951 20 30 FFEDLP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173978069 509885627 /nfs/dbraw/zinc/88/56/27/509885627.db2.gz KDCCGEYOZRJOGY-FQEVSTJZSA-N 2 2 362.477 2.951 20 30 FFEDLP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173978069 509885630 /nfs/dbraw/zinc/88/56/30/509885630.db2.gz KDCCGEYOZRJOGY-FQEVSTJZSA-N 2 2 362.477 2.951 20 30 FFEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000177156863 509907114 /nfs/dbraw/zinc/90/71/14/509907114.db2.gz DCIXLMALFQCCIG-UHFFFAOYSA-N 2 2 373.928 2.568 20 30 FFEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245527585 509984115 /nfs/dbraw/zinc/98/41/15/509984115.db2.gz PYNWKWVDOXHOLQ-ICSRJNTNSA-N 2 2 354.498 2.860 20 30 FFEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245527585 509984120 /nfs/dbraw/zinc/98/41/20/509984120.db2.gz PYNWKWVDOXHOLQ-ICSRJNTNSA-N 2 2 354.498 2.860 20 30 FFEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245527585 509984125 /nfs/dbraw/zinc/98/41/25/509984125.db2.gz PYNWKWVDOXHOLQ-ICSRJNTNSA-N 2 2 354.498 2.860 20 30 FFEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245527585 509984128 /nfs/dbraw/zinc/98/41/28/509984128.db2.gz PYNWKWVDOXHOLQ-ICSRJNTNSA-N 2 2 354.498 2.860 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@@H]1CCc2ccccc2C1 ZINC000262286536 510231527 /nfs/dbraw/zinc/23/15/27/510231527.db2.gz XSWCEEQOAODMTL-HXUWFJFHSA-N 2 2 374.492 2.798 20 30 FFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000181655897 510524972 /nfs/dbraw/zinc/52/49/72/510524972.db2.gz FBIQRMRLFKYZAP-ROUUACIJSA-N 2 2 368.525 2.902 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246570201 510560226 /nfs/dbraw/zinc/56/02/26/510560226.db2.gz BTIGBIDKNFPKEQ-XUWXXGDYSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246570201 510560233 /nfs/dbraw/zinc/56/02/33/510560233.db2.gz BTIGBIDKNFPKEQ-XUWXXGDYSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246570201 510560239 /nfs/dbraw/zinc/56/02/39/510560239.db2.gz BTIGBIDKNFPKEQ-XUWXXGDYSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246570201 510560248 /nfs/dbraw/zinc/56/02/48/510560248.db2.gz BTIGBIDKNFPKEQ-XUWXXGDYSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000330185315 510932801 /nfs/dbraw/zinc/93/28/01/510932801.db2.gz JAQDRXNJCCIKEJ-MJGOQNOKSA-N 2 2 367.497 2.708 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000330185315 510932803 /nfs/dbraw/zinc/93/28/03/510932803.db2.gz JAQDRXNJCCIKEJ-MJGOQNOKSA-N 2 2 367.497 2.708 20 30 FFEDLP CC1CC[NH+](C2CCC(NC([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)CC1 ZINC000330283657 510957441 /nfs/dbraw/zinc/95/74/41/510957441.db2.gz WJAFYWQEZQTWJE-LXPRWKDFSA-N 2 2 359.518 2.745 20 30 FFEDLP CC1CC[NH+](C2CCC([NH+]=C([O-])N[C@@H]3CCn4cc[nH+]c4C3)CC2)CC1 ZINC000330283657 510957444 /nfs/dbraw/zinc/95/74/44/510957444.db2.gz WJAFYWQEZQTWJE-LXPRWKDFSA-N 2 2 359.518 2.745 20 30 FFEDLP CC(C)(C)[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330538521 510995460 /nfs/dbraw/zinc/99/54/60/510995460.db2.gz QLQWSNAHLBGFQF-UHFFFAOYSA-N 2 2 361.412 2.712 20 30 FFEDLP CC(C)[NH2+]C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279477992 511096726 /nfs/dbraw/zinc/09/67/26/511096726.db2.gz WKBDHJKSVNSAEF-UHFFFAOYSA-N 2 2 352.486 2.821 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292830274 511737390 /nfs/dbraw/zinc/73/73/90/511737390.db2.gz ALRZJQLOGXVGPE-UWJYYQICSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292830274 511737395 /nfs/dbraw/zinc/73/73/95/511737395.db2.gz ALRZJQLOGXVGPE-UWJYYQICSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292830274 511737400 /nfs/dbraw/zinc/73/74/00/511737400.db2.gz ALRZJQLOGXVGPE-UWJYYQICSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292830274 511737404 /nfs/dbraw/zinc/73/74/04/511737404.db2.gz ALRZJQLOGXVGPE-UWJYYQICSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292862100 511749611 /nfs/dbraw/zinc/74/96/11/511749611.db2.gz CMZAZVDOPGVDAO-IFXJQAMLSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292862100 511749619 /nfs/dbraw/zinc/74/96/19/511749619.db2.gz CMZAZVDOPGVDAO-IFXJQAMLSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292862100 511749626 /nfs/dbraw/zinc/74/96/26/511749626.db2.gz CMZAZVDOPGVDAO-IFXJQAMLSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292862100 511749631 /nfs/dbraw/zinc/74/96/31/511749631.db2.gz CMZAZVDOPGVDAO-IFXJQAMLSA-N 2 2 360.889 2.956 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000328769974 511928874 /nfs/dbraw/zinc/92/88/74/511928874.db2.gz ITPZANMXOKFSBG-QGZVFWFLSA-N 2 2 359.518 2.778 20 30 FFEDLP O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000329002490 511965352 /nfs/dbraw/zinc/96/53/52/511965352.db2.gz WHCJSTATZKBBNH-RTBURBONSA-N 2 2 361.461 2.517 20 30 FFEDLP O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000329002490 511965361 /nfs/dbraw/zinc/96/53/61/511965361.db2.gz WHCJSTATZKBBNH-RTBURBONSA-N 2 2 361.461 2.517 20 30 FFEDLP N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000364131628 511974632 /nfs/dbraw/zinc/97/46/32/511974632.db2.gz JLHVAWLSZNSUNY-UHFFFAOYSA-N 2 2 358.449 2.898 20 30 FFEDLP C[NH+]1CCC2(CCCN2C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000329085189 511978640 /nfs/dbraw/zinc/97/86/40/511978640.db2.gz UFZRMOPXZUOOKE-UHFFFAOYSA-N 2 2 357.502 2.525 20 30 FFEDLP CCc1nnc(C)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000329527466 512065028 /nfs/dbraw/zinc/06/50/28/512065028.db2.gz SBYQCUDZRGRSGU-UHFFFAOYSA-N 2 2 359.518 2.602 20 30 FFEDLP C[C@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C[C@@H]1[NH+](C)C ZINC000329776088 512096262 /nfs/dbraw/zinc/09/62/62/512096262.db2.gz NSWVOPACHMGPIK-YCPHGPKFSA-N 2 2 365.547 2.802 20 30 FFEDLP C[C@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C[C@@H]1[NH+](C)C ZINC000329776088 512096264 /nfs/dbraw/zinc/09/62/64/512096264.db2.gz NSWVOPACHMGPIK-YCPHGPKFSA-N 2 2 365.547 2.802 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)CC1 ZINC000446828354 513345154 /nfs/dbraw/zinc/34/51/54/513345154.db2.gz ZSWCLUFRGAUCGH-HXUWFJFHSA-N 2 2 355.486 2.658 20 30 FFEDLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449584381 514263732 /nfs/dbraw/zinc/26/37/32/514263732.db2.gz JRCJFCSRXCCZLS-UXHICEINSA-N 2 2 355.482 2.844 20 30 FFEDLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424148337 514398360 /nfs/dbraw/zinc/39/83/60/514398360.db2.gz UGXOIQOBIXUYHX-KRWDZBQOSA-N 2 2 357.483 2.735 20 30 FFEDLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424148337 514398364 /nfs/dbraw/zinc/39/83/64/514398364.db2.gz UGXOIQOBIXUYHX-KRWDZBQOSA-N 2 2 357.483 2.735 20 30 FFEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C#N)ccc3OC)CC2)CC1 ZINC000420984105 514420297 /nfs/dbraw/zinc/42/02/97/514420297.db2.gz SGXOJXGCYOPZTI-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C#N)ccc3OC)CC2)CC1 ZINC000420984105 514420314 /nfs/dbraw/zinc/42/03/14/514420314.db2.gz SGXOJXGCYOPZTI-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(C#N)ccc3OC)CC2)CC1 ZINC000420984105 514420323 /nfs/dbraw/zinc/42/03/23/514420323.db2.gz SGXOJXGCYOPZTI-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(C#N)ccc3OC)CC2)CC1 ZINC000420984105 514420332 /nfs/dbraw/zinc/42/03/32/514420332.db2.gz SGXOJXGCYOPZTI-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470979705 514705954 /nfs/dbraw/zinc/70/59/54/514705954.db2.gz NRTUEXLAJQBJJJ-UYAOXDASSA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470979705 514705967 /nfs/dbraw/zinc/70/59/67/514705967.db2.gz NRTUEXLAJQBJJJ-UYAOXDASSA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470979705 514705980 /nfs/dbraw/zinc/70/59/80/514705980.db2.gz NRTUEXLAJQBJJJ-UYAOXDASSA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470979705 514705992 /nfs/dbraw/zinc/70/59/92/514705992.db2.gz NRTUEXLAJQBJJJ-UYAOXDASSA-N 2 2 368.525 2.985 20 30 FFEDLP CN(C(=O)c1ccc(C#N)o1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489149932 514727837 /nfs/dbraw/zinc/72/78/37/514727837.db2.gz VZMCDVORUUJAJJ-ZWKOTPCHSA-N 2 2 358.486 2.560 20 30 FFEDLP CN(C(=O)c1ccc(C#N)o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489149932 514727849 /nfs/dbraw/zinc/72/78/49/514727849.db2.gz VZMCDVORUUJAJJ-ZWKOTPCHSA-N 2 2 358.486 2.560 20 30 FFEDLP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000498601570 514991501 /nfs/dbraw/zinc/99/15/01/514991501.db2.gz NOUJUCULBRRZGY-UHFFFAOYSA-N 2 2 362.477 2.578 20 30 FFEDLP CC1(C)C[NH+](CC#CC[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000581339144 518237105 /nfs/dbraw/zinc/23/71/05/518237105.db2.gz KWZWCAUUJSRJET-MUGJNUQGSA-N 2 2 360.542 2.769 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000564211522 518353445 /nfs/dbraw/zinc/35/34/45/518353445.db2.gz LPZGLULCKFIIKV-UZLBHIALSA-N 2 2 360.465 2.744 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1Cc1ccccc1 ZINC000564211522 518353453 /nfs/dbraw/zinc/35/34/53/518353453.db2.gz LPZGLULCKFIIKV-UZLBHIALSA-N 2 2 360.465 2.744 20 30 FFEDLP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1Br)CC[NH+](C)C ZINC000588977311 518885324 /nfs/dbraw/zinc/88/53/24/518885324.db2.gz OWJYEPDGMBOBBO-UHFFFAOYSA-N 2 2 367.335 2.636 20 30 FFEDLP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1Br)CC[NH+](C)C ZINC000588977311 518885329 /nfs/dbraw/zinc/88/53/29/518885329.db2.gz OWJYEPDGMBOBBO-UHFFFAOYSA-N 2 2 367.335 2.636 20 30 FFEDLP CC(C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@@H+]1CCc2ccccc2C1 ZINC000568301019 518969539 /nfs/dbraw/zinc/96/95/39/518969539.db2.gz VTVVRXUFBZRGSX-UHFFFAOYSA-N 2 2 360.465 2.527 20 30 FFEDLP CC(C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@H+]1CCc2ccccc2C1 ZINC000568301019 518969544 /nfs/dbraw/zinc/96/95/44/518969544.db2.gz VTVVRXUFBZRGSX-UHFFFAOYSA-N 2 2 360.465 2.527 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C#N)ccc3C)CC2)CC1 ZINC000578125917 519431190 /nfs/dbraw/zinc/43/11/90/519431190.db2.gz KEUVRYMYOMBWHU-UHFFFAOYSA-N 2 2 369.513 2.891 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C#N)ccc3C)CC2)CC1 ZINC000578125917 519431196 /nfs/dbraw/zinc/43/11/96/519431196.db2.gz KEUVRYMYOMBWHU-UHFFFAOYSA-N 2 2 369.513 2.891 20 30 FFEDLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000583810184 519446309 /nfs/dbraw/zinc/44/63/09/519446309.db2.gz ACSMFZCSKYYVHV-QZTJIDSGSA-N 2 2 364.440 2.581 20 30 FFEDLP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCn4c[nH+]cc4C3)sc2C1 ZINC000595490986 520505936 /nfs/dbraw/zinc/50/59/36/520505936.db2.gz PLNBTIOBRHKWDQ-CYBMUJFWSA-N 2 2 369.494 2.785 20 30 FFEDLP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCn4c[nH+]cc4C3)sc2C1 ZINC000595490986 520505944 /nfs/dbraw/zinc/50/59/44/520505944.db2.gz PLNBTIOBRHKWDQ-CYBMUJFWSA-N 2 2 369.494 2.785 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504447 520514491 /nfs/dbraw/zinc/51/44/91/520514491.db2.gz JMGODFGQNYFAPH-YWDUDDICSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504447 520514496 /nfs/dbraw/zinc/51/44/96/520514496.db2.gz JMGODFGQNYFAPH-YWDUDDICSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504447 520514502 /nfs/dbraw/zinc/51/45/02/520514502.db2.gz JMGODFGQNYFAPH-YWDUDDICSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504447 520514510 /nfs/dbraw/zinc/51/45/10/520514510.db2.gz JMGODFGQNYFAPH-YWDUDDICSA-N 2 2 360.546 2.723 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000602141187 521169681 /nfs/dbraw/zinc/16/96/81/521169681.db2.gz ITKYOQARKWBPJX-UHFFFAOYSA-N 2 2 365.481 2.681 20 30 FFEDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597126693 521523960 /nfs/dbraw/zinc/52/39/60/521523960.db2.gz JAGUCTMSKXXIGD-UHFFFAOYSA-N 2 2 371.525 2.801 20 30 FFEDLP N#Cc1ccc2cc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164728121 720559270 /nfs/dbraw/zinc/55/92/70/720559270.db2.gz JYHAVUKSDFDFTF-UHFFFAOYSA-N 2 2 372.476 2.961 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000846481321 748490234 /nfs/dbraw/zinc/49/02/34/748490234.db2.gz JBTKWDQBSSKDBR-IBGZPJMESA-N 2 2 357.523 2.911 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000846481321 748490239 /nfs/dbraw/zinc/49/02/39/748490239.db2.gz JBTKWDQBSSKDBR-IBGZPJMESA-N 2 2 357.523 2.911 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001087966416 971373110 /nfs/dbraw/zinc/37/31/10/971373110.db2.gz AZSMGZLCUHKUTI-SJORKVTESA-N 2 2 358.873 2.789 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@@H]2C1 ZINC001087966416 971373118 /nfs/dbraw/zinc/37/31/18/971373118.db2.gz AZSMGZLCUHKUTI-SJORKVTESA-N 2 2 358.873 2.789 20 30 FFEDLP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001275872146 1013125274 /nfs/dbraw/zinc/12/52/74/1013125274.db2.gz QUGXGPLRGCFXRX-UHFFFAOYSA-N 2 2 359.436 2.658 20 30 FFEDLP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001275872146 1013125281 /nfs/dbraw/zinc/12/52/81/1013125281.db2.gz QUGXGPLRGCFXRX-UHFFFAOYSA-N 2 2 359.436 2.658 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001270321213 964951885 /nfs/dbraw/zinc/95/18/85/964951885.db2.gz PXQVZAKBGGNCPP-ASIGSXEYSA-N 2 2 354.498 2.796 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001270321213 964951900 /nfs/dbraw/zinc/95/19/00/964951900.db2.gz PXQVZAKBGGNCPP-ASIGSXEYSA-N 2 2 354.498 2.796 20 30 FFEDLP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261961950 965067255 /nfs/dbraw/zinc/06/72/55/965067255.db2.gz KIILTNXHJWDHCP-QTMHVTGLSA-N 2 2 373.545 2.935 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(CF)cc2)[C@@H]1CC ZINC001087607350 968343166 /nfs/dbraw/zinc/34/31/66/968343166.db2.gz YYJKBBYYNIAUOD-HBMCJLEFSA-N 2 2 371.500 2.723 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)[C@@H]1CC ZINC001087607350 968343179 /nfs/dbraw/zinc/34/31/79/968343179.db2.gz YYJKBBYYNIAUOD-HBMCJLEFSA-N 2 2 371.500 2.723 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CF)cc2)[C@@H]1CC ZINC001087607350 968343189 /nfs/dbraw/zinc/34/31/89/968343189.db2.gz YYJKBBYYNIAUOD-HBMCJLEFSA-N 2 2 371.500 2.723 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CF)cc2)[C@@H]1CC ZINC001087607350 968343191 /nfs/dbraw/zinc/34/31/91/968343191.db2.gz YYJKBBYYNIAUOD-HBMCJLEFSA-N 2 2 371.500 2.723 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c(F)c2)[C@@H]1CC ZINC001087607199 968343325 /nfs/dbraw/zinc/34/33/25/968343325.db2.gz QMWVGFSGWKKLFK-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)[C@@H]1CC ZINC001087607199 968343335 /nfs/dbraw/zinc/34/33/35/968343335.db2.gz QMWVGFSGWKKLFK-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(F)c2)[C@@H]1CC ZINC001087607199 968343345 /nfs/dbraw/zinc/34/33/45/968343345.db2.gz QMWVGFSGWKKLFK-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(F)c2)[C@@H]1CC ZINC001087607199 968343355 /nfs/dbraw/zinc/34/33/55/968343355.db2.gz QMWVGFSGWKKLFK-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001087441831 977518980 /nfs/dbraw/zinc/51/89/80/977518980.db2.gz AVDLXSMAHDNBFT-UYAOXDASSA-N 2 2 364.493 2.922 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001087441831 977518989 /nfs/dbraw/zinc/51/89/89/977518989.db2.gz AVDLXSMAHDNBFT-UYAOXDASSA-N 2 2 364.493 2.922 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076247718 979272842 /nfs/dbraw/zinc/27/28/42/979272842.db2.gz BAIXFWYSDMPOKW-RBUKOAKNSA-N 2 2 361.917 2.690 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001076247718 979272845 /nfs/dbraw/zinc/27/28/45/979272845.db2.gz BAIXFWYSDMPOKW-RBUKOAKNSA-N 2 2 361.917 2.690 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2Cl)[C@@H]1C ZINC001088631217 982045983 /nfs/dbraw/zinc/04/59/83/982045983.db2.gz ZFRQEVHUJRQGMB-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2Cl)[C@@H]1C ZINC001088631217 982045986 /nfs/dbraw/zinc/04/59/86/982045986.db2.gz ZFRQEVHUJRQGMB-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2Cl)[C@@H]1C ZINC001088631217 982045992 /nfs/dbraw/zinc/04/59/92/982045992.db2.gz ZFRQEVHUJRQGMB-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2Cl)[C@@H]1C ZINC001088631217 982045996 /nfs/dbraw/zinc/04/59/96/982045996.db2.gz ZFRQEVHUJRQGMB-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1cccc(F)c1 ZINC000083029945 982776801 /nfs/dbraw/zinc/77/68/01/982776801.db2.gz SMDKOHMSSDQKAH-MSOLQXFVSA-N 2 2 356.445 2.857 20 30 FFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1cccc(F)c1 ZINC000083029951 984040635 /nfs/dbraw/zinc/04/06/35/984040635.db2.gz SMDKOHMSSDQKAH-ZWKOTPCHSA-N 2 2 356.445 2.857 20 30 FFEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445474 984547140 /nfs/dbraw/zinc/54/71/40/984547140.db2.gz ZVVXIRUCHOFAPV-SFHLNBCPSA-N 2 2 356.514 2.854 20 30 FFEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445474 984547144 /nfs/dbraw/zinc/54/71/44/984547144.db2.gz ZVVXIRUCHOFAPV-SFHLNBCPSA-N 2 2 356.514 2.854 20 30 FFEDLP CC1(C)O[C@@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C[C@@H]2O1 ZINC000922869948 988969560 /nfs/dbraw/zinc/96/95/60/988969560.db2.gz LLWUJPNKRKQIBG-OWZKRDHZSA-N 2 2 355.482 2.795 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC001079159101 991862458 /nfs/dbraw/zinc/86/24/58/991862458.db2.gz KEGAADHGSFNMEX-RBUKOAKNSA-N 2 2 356.445 2.642 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079207256 991884533 /nfs/dbraw/zinc/88/45/33/991884533.db2.gz WJCSXVIBMDUYQO-ZWKOTPCHSA-N 2 2 370.472 2.987 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1F ZINC001079310808 992010649 /nfs/dbraw/zinc/01/06/49/992010649.db2.gz LBUNFNJWJBSIRD-JTDSTZFVSA-N 2 2 368.456 2.739 20 30 FFEDLP N#CC1(NC(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CCCCC1 ZINC000880567623 1015873146 /nfs/dbraw/zinc/87/31/46/1015873146.db2.gz LEWCXBNMANTNGH-SFHVURJKSA-N 2 2 351.454 2.557 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000730018904 996793976 /nfs/dbraw/zinc/79/39/76/996793976.db2.gz BTHFZOBBPIKQNV-UHFFFAOYSA-N 2 2 366.509 2.811 20 30 FFEDLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cn1)CC2 ZINC001144157361 998070530 /nfs/dbraw/zinc/07/05/30/998070530.db2.gz FHWHEHHJBRMDOD-LJQANCHMSA-N 2 2 366.465 2.802 20 30 FFEDLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cn1)CC2 ZINC001144157361 998070548 /nfs/dbraw/zinc/07/05/48/998070548.db2.gz FHWHEHHJBRMDOD-LJQANCHMSA-N 2 2 366.465 2.802 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC001085064167 998821736 /nfs/dbraw/zinc/82/17/36/998821736.db2.gz DRBZKERFBLYFHZ-QAPCUYQASA-N 2 2 371.872 2.556 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC001085064167 998821743 /nfs/dbraw/zinc/82/17/43/998821743.db2.gz DRBZKERFBLYFHZ-QAPCUYQASA-N 2 2 371.872 2.556 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085603243 999590941 /nfs/dbraw/zinc/59/09/41/999590941.db2.gz YNZLCNDIHUBQBL-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085603243 999590943 /nfs/dbraw/zinc/59/09/43/999590943.db2.gz YNZLCNDIHUBQBL-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001109462076 1000507289 /nfs/dbraw/zinc/50/72/89/1000507289.db2.gz AHWPEXLZCXITFF-JYBIWHBTSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001109462076 1000507294 /nfs/dbraw/zinc/50/72/94/1000507294.db2.gz AHWPEXLZCXITFF-JYBIWHBTSA-N 2 2 356.514 2.913 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)[NH+](CC)CC ZINC001109714331 1000897350 /nfs/dbraw/zinc/89/73/50/1000897350.db2.gz HDHJUYSZQKRCGG-ANULTFPQSA-N 2 2 368.525 2.900 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)[NH+](CC)CC ZINC001109714331 1000897357 /nfs/dbraw/zinc/89/73/57/1000897357.db2.gz HDHJUYSZQKRCGG-ANULTFPQSA-N 2 2 368.525 2.900 20 30 FFEDLP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359799 1001354891 /nfs/dbraw/zinc/35/48/91/1001354891.db2.gz VTDLOJGWOQEOJR-KBRIMQKVSA-N 2 2 371.510 2.911 20 30 FFEDLP C[C@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359799 1001354898 /nfs/dbraw/zinc/35/48/98/1001354898.db2.gz VTDLOJGWOQEOJR-KBRIMQKVSA-N 2 2 371.510 2.911 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001091889785 1001992214 /nfs/dbraw/zinc/99/22/14/1001992214.db2.gz RODRGPKJODUYJM-NQIIRXRSSA-N 2 2 350.466 2.842 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001091889785 1001992221 /nfs/dbraw/zinc/99/22/21/1001992221.db2.gz RODRGPKJODUYJM-NQIIRXRSSA-N 2 2 350.466 2.842 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086595721 1002603264 /nfs/dbraw/zinc/60/32/64/1002603264.db2.gz PWVYQFZKKQQLGO-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086595721 1002603270 /nfs/dbraw/zinc/60/32/70/1002603270.db2.gz PWVYQFZKKQQLGO-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086596210 1002622184 /nfs/dbraw/zinc/62/21/84/1002622184.db2.gz QGWNXIISDLTDLG-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086596210 1002622189 /nfs/dbraw/zinc/62/21/89/1002622189.db2.gz QGWNXIISDLTDLG-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086609020 1003170714 /nfs/dbraw/zinc/17/07/14/1003170714.db2.gz LQIQREXFKMKNSV-WSTZPKSXSA-N 2 2 364.493 2.990 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086609020 1003170723 /nfs/dbraw/zinc/17/07/23/1003170723.db2.gz LQIQREXFKMKNSV-WSTZPKSXSA-N 2 2 364.493 2.990 20 30 FFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cccc(C#N)n2)cc1 ZINC001198018379 1004447480 /nfs/dbraw/zinc/44/74/80/1004447480.db2.gz ORXWXCNOABKEGH-UHFFFAOYSA-N 2 2 351.454 2.589 20 30 FFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cccc(C#N)n2)cc1 ZINC001198018379 1004447486 /nfs/dbraw/zinc/44/74/86/1004447486.db2.gz ORXWXCNOABKEGH-UHFFFAOYSA-N 2 2 351.454 2.589 20 30 FFEDLP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001489062676 1005401819 /nfs/dbraw/zinc/40/18/19/1005401819.db2.gz CKIXRLISCWTBAS-VQIMIIECSA-N 2 2 352.482 2.886 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001110730665 1008207995 /nfs/dbraw/zinc/20/79/95/1008207995.db2.gz BHXIUQDEROQMNO-LFGUQSLTSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001110730665 1008207998 /nfs/dbraw/zinc/20/79/98/1008207998.db2.gz BHXIUQDEROQMNO-LFGUQSLTSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]4CN3C(=O)OC(C)(C)C)CC1 ZINC000820810347 1008374541 /nfs/dbraw/zinc/37/45/41/1008374541.db2.gz VENGWWXMBPKKRG-WAARBJQMSA-N 2 2 361.530 2.870 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094452704 1011140733 /nfs/dbraw/zinc/14/07/33/1011140733.db2.gz ALTVKZJYRYAUOS-YFVAEKQCSA-N 2 2 356.514 2.773 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094452704 1011140739 /nfs/dbraw/zinc/14/07/39/1011140739.db2.gz ALTVKZJYRYAUOS-YFVAEKQCSA-N 2 2 356.514 2.773 20 30 FFEDLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308439 1011737634 /nfs/dbraw/zinc/73/76/34/1011737634.db2.gz XXRMVQODIPVGCM-QGZVFWFLSA-N 2 2 366.513 2.827 20 30 FFEDLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308439 1011737645 /nfs/dbraw/zinc/73/76/45/1011737645.db2.gz XXRMVQODIPVGCM-QGZVFWFLSA-N 2 2 366.513 2.827 20 30 FFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308439 1011737654 /nfs/dbraw/zinc/73/76/54/1011737654.db2.gz XXRMVQODIPVGCM-QGZVFWFLSA-N 2 2 366.513 2.827 20 30 FFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308439 1011737658 /nfs/dbraw/zinc/73/76/58/1011737658.db2.gz XXRMVQODIPVGCM-QGZVFWFLSA-N 2 2 366.513 2.827 20 30 FFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000303708987 1012397349 /nfs/dbraw/zinc/39/73/49/1012397349.db2.gz NLUZBUGQBQMHDF-FQEVSTJZSA-N 2 2 369.488 2.565 20 30 FFEDLP C=CCOC1CCC([N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001173320244 1012473115 /nfs/dbraw/zinc/47/31/15/1012473115.db2.gz JOOBGGDCXFFYAH-UHFFFAOYSA-N 2 2 373.545 2.636 20 30 FFEDLP C=CCOC1CCC([N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001173320244 1012473126 /nfs/dbraw/zinc/47/31/26/1012473126.db2.gz JOOBGGDCXFFYAH-UHFFFAOYSA-N 2 2 373.545 2.636 20 30 FFEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001095240942 1012823300 /nfs/dbraw/zinc/82/33/00/1012823300.db2.gz KFAWEFHSIXJUSS-FUMNGEBKSA-N 2 2 371.912 2.507 20 30 FFEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001095240942 1012823318 /nfs/dbraw/zinc/82/33/18/1012823318.db2.gz KFAWEFHSIXJUSS-FUMNGEBKSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001095240942 1012823334 /nfs/dbraw/zinc/82/33/34/1012823334.db2.gz KFAWEFHSIXJUSS-FUMNGEBKSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001095240942 1012823352 /nfs/dbraw/zinc/82/33/52/1012823352.db2.gz KFAWEFHSIXJUSS-FUMNGEBKSA-N 2 2 371.912 2.507 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001097248318 1017270414 /nfs/dbraw/zinc/27/04/14/1017270414.db2.gz VODJMCGMIHSVTJ-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001097248318 1017270428 /nfs/dbraw/zinc/27/04/28/1017270428.db2.gz VODJMCGMIHSVTJ-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001097248318 1017270436 /nfs/dbraw/zinc/27/04/36/1017270436.db2.gz VODJMCGMIHSVTJ-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001097248318 1017270448 /nfs/dbraw/zinc/27/04/48/1017270448.db2.gz VODJMCGMIHSVTJ-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001052388024 1017387888 /nfs/dbraw/zinc/38/78/88/1017387888.db2.gz YTOAGOSSEOJWRZ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001052388024 1017387899 /nfs/dbraw/zinc/38/78/99/1017387899.db2.gz YTOAGOSSEOJWRZ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001110993134 1020088449 /nfs/dbraw/zinc/08/84/49/1020088449.db2.gz NHWIJIPPYMLTPV-RSPOEFSDSA-N 2 2 372.488 2.505 20 30 FFEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096364809 1020235424 /nfs/dbraw/zinc/23/54/24/1020235424.db2.gz ZWQQJQUSKSREJG-CBQOVEMMSA-N 2 2 374.488 2.534 20 30 FFEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096364809 1020235435 /nfs/dbraw/zinc/23/54/35/1020235435.db2.gz ZWQQJQUSKSREJG-CBQOVEMMSA-N 2 2 374.488 2.534 20 30 FFEDLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(C#N)c1 ZINC000902988521 1020613275 /nfs/dbraw/zinc/61/32/75/1020613275.db2.gz VQVRPXAXYURLNA-RAFMOHDBSA-N 2 2 354.498 2.683 20 30 FFEDLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(C#N)c1 ZINC000902988521 1020613279 /nfs/dbraw/zinc/61/32/79/1020613279.db2.gz VQVRPXAXYURLNA-RAFMOHDBSA-N 2 2 354.498 2.683 20 30 FFEDLP N#CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000935271741 1021642631 /nfs/dbraw/zinc/64/26/31/1021642631.db2.gz ZCVLMPZLMWFHEN-UHFFFAOYSA-N 2 2 359.433 2.851 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001122440699 1023269616 /nfs/dbraw/zinc/26/96/16/1023269616.db2.gz JAGWTRIMUICCQB-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001122440699 1023269622 /nfs/dbraw/zinc/26/96/22/1023269622.db2.gz JAGWTRIMUICCQB-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001101282798 1024315482 /nfs/dbraw/zinc/31/54/82/1024315482.db2.gz FCPIDEJICWYNIV-LZJOCLMNSA-N 2 2 356.514 2.570 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001101282798 1024315501 /nfs/dbraw/zinc/31/55/01/1024315501.db2.gz FCPIDEJICWYNIV-LZJOCLMNSA-N 2 2 356.514 2.570 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@]2(C)C1 ZINC001101282798 1024315516 /nfs/dbraw/zinc/31/55/16/1024315516.db2.gz FCPIDEJICWYNIV-LZJOCLMNSA-N 2 2 356.514 2.570 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@]2(C)C1 ZINC001101282798 1024315531 /nfs/dbraw/zinc/31/55/31/1024315531.db2.gz FCPIDEJICWYNIV-LZJOCLMNSA-N 2 2 356.514 2.570 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@]2(C)C1 ZINC001101427423 1024711568 /nfs/dbraw/zinc/71/15/68/1024711568.db2.gz ABHBNHSTYYGIRC-UTKZUKDTSA-N 2 2 365.481 2.627 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@]2(C)C1 ZINC001101427423 1024711579 /nfs/dbraw/zinc/71/15/79/1024711579.db2.gz ABHBNHSTYYGIRC-UTKZUKDTSA-N 2 2 365.481 2.627 20 30 FFEDLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413409 1025928304 /nfs/dbraw/zinc/92/83/04/1025928304.db2.gz FRZQDMVMHOEFEH-FUHIMQAGSA-N 2 2 365.481 2.590 20 30 FFEDLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413409 1025928319 /nfs/dbraw/zinc/92/83/19/1025928319.db2.gz FRZQDMVMHOEFEH-FUHIMQAGSA-N 2 2 365.481 2.590 20 30 FFEDLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413478 1025928987 /nfs/dbraw/zinc/92/89/87/1025928987.db2.gz IBRYMRVFOLBEPD-OWCLPIDISA-N 2 2 371.510 2.652 20 30 FFEDLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413478 1025928992 /nfs/dbraw/zinc/92/89/92/1025928992.db2.gz IBRYMRVFOLBEPD-OWCLPIDISA-N 2 2 371.510 2.652 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637698 1027847927 /nfs/dbraw/zinc/84/79/27/1027847927.db2.gz ZTJDJWGUFVBQBP-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637698 1027847944 /nfs/dbraw/zinc/84/79/44/1027847944.db2.gz ZTJDJWGUFVBQBP-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C[NH+](C)C1(CNc2c(C#N)cnc3nc(Cl)ccc32)CC[NH+](C)CC1 ZINC001164210785 1029203135 /nfs/dbraw/zinc/20/31/35/1029203135.db2.gz IWDODBLQVISUEH-UHFFFAOYSA-N 2 2 358.877 2.593 20 30 FFEDLP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001164567110 1029322388 /nfs/dbraw/zinc/32/23/88/1029322388.db2.gz XRLCSVUUINXOHL-QZTJIDSGSA-N 2 2 356.514 2.606 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157746341 1029655092 /nfs/dbraw/zinc/65/50/92/1029655092.db2.gz QBGBYPLEVQDSHJ-TZIWHRDSSA-N 2 2 372.488 2.592 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157746341 1029655095 /nfs/dbraw/zinc/65/50/95/1029655095.db2.gz QBGBYPLEVQDSHJ-TZIWHRDSSA-N 2 2 372.488 2.592 20 30 FFEDLP N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258854 1029775259 /nfs/dbraw/zinc/77/52/59/1029775259.db2.gz KCZRGSRFHUFZKA-SFHVURJKSA-N 2 2 365.456 2.761 20 30 FFEDLP N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258854 1029775264 /nfs/dbraw/zinc/77/52/64/1029775264.db2.gz KCZRGSRFHUFZKA-SFHVURJKSA-N 2 2 365.456 2.761 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205424641 1031733564 /nfs/dbraw/zinc/73/35/64/1031733564.db2.gz LWCWJFJSGMPMJX-VQTJNVASSA-N 2 2 370.472 2.963 20 30 FFEDLP C=C[C@@H]1C[C@]1([NH3+])C(=O)N1CC[NH+]=C1CN(Cc1ccccc1)c1ccccc1 ZINC001220443541 1034179843 /nfs/dbraw/zinc/17/98/43/1034179843.db2.gz NZQFYSARRNEULG-AUSIDOKSSA-N 2 2 374.488 2.837 20 30 FFEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001229038450 1036470005 /nfs/dbraw/zinc/47/00/05/1036470005.db2.gz VJYFTMMTELEXMV-MORSLUCNSA-N 2 2 371.510 2.739 20 30 FFEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001229038450 1036470006 /nfs/dbraw/zinc/47/00/06/1036470006.db2.gz VJYFTMMTELEXMV-MORSLUCNSA-N 2 2 371.510 2.739 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)cc1OC)C2 ZINC001231619281 1037738323 /nfs/dbraw/zinc/73/83/23/1037738323.db2.gz TUBLMCJUWIJIPT-UNMCSNQZSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)cc1OC)C2 ZINC001231619281 1037738341 /nfs/dbraw/zinc/73/83/41/1037738341.db2.gz TUBLMCJUWIJIPT-UNMCSNQZSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC001231619281 1037738369 /nfs/dbraw/zinc/73/83/69/1037738369.db2.gz TUBLMCJUWIJIPT-UNMCSNQZSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)cc1OC)C2 ZINC001231619281 1037738388 /nfs/dbraw/zinc/73/83/88/1037738388.db2.gz TUBLMCJUWIJIPT-UNMCSNQZSA-N 2 2 369.509 2.747 20 30 FFEDLP N#Cc1ccc(C(=O)N[C@@]23CC[C@@]([NH2+]CCn4cc[nH+]c4)(C2)CCC3)s1 ZINC001276596594 1038571588 /nfs/dbraw/zinc/57/15/88/1038571588.db2.gz XZSRNMAZXURWBE-MOPGFXCFSA-N 2 2 369.494 2.681 20 30 FFEDLP O=C(CC[NH2+][C@H]1CCC[NH2+]C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246334905 1039317440 /nfs/dbraw/zinc/31/74/40/1039317440.db2.gz TUZSTEYNAHMJOF-NRFANRHFSA-N 2 2 359.473 2.665 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H](C)CC ZINC001254049812 1040551272 /nfs/dbraw/zinc/55/12/72/1040551272.db2.gz NLSLGVPEJROUNR-ICSRJNTNSA-N 2 2 374.525 2.747 20 30 FFEDLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC001254677046 1040871447 /nfs/dbraw/zinc/87/14/47/1040871447.db2.gz PWEQRFMPWDEWIG-LZLYRXPVSA-N 2 2 362.518 2.742 20 30 FFEDLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC001254677046 1040871456 /nfs/dbraw/zinc/87/14/56/1040871456.db2.gz PWEQRFMPWDEWIG-LZLYRXPVSA-N 2 2 362.518 2.742 20 30 FFEDLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001214964600 1041632090 /nfs/dbraw/zinc/63/20/90/1041632090.db2.gz IJJOZPSHJIOSEB-IIBYNOLFSA-N 2 2 358.445 2.665 20 30 FFEDLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001279134298 1042913360 /nfs/dbraw/zinc/91/33/60/1042913360.db2.gz ZHUZCDCDMCSIGX-UHFFFAOYSA-N 2 2 362.468 2.686 20 30 FFEDLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001279134298 1042913362 /nfs/dbraw/zinc/91/33/62/1042913362.db2.gz ZHUZCDCDMCSIGX-UHFFFAOYSA-N 2 2 362.468 2.686 20 30 FFEDLP Cc1nnc(C[NH+]2CCC3(CC[N@@H+](Cc4cc(C#N)n(C)c4)C3)CC2)s1 ZINC001279568848 1043269211 /nfs/dbraw/zinc/26/92/11/1043269211.db2.gz UETANYNVYCBGAS-UHFFFAOYSA-N 2 2 370.526 2.545 20 30 FFEDLP Cc1nnc(C[NH+]2CCC3(CC[N@H+](Cc4cc(C#N)n(C)c4)C3)CC2)s1 ZINC001279568848 1043269217 /nfs/dbraw/zinc/26/92/17/1043269217.db2.gz UETANYNVYCBGAS-UHFFFAOYSA-N 2 2 370.526 2.545 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001339528153 1043457749 /nfs/dbraw/zinc/45/77/49/1043457749.db2.gz DHDJNWNMEPJFHK-QZTJIDSGSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001339528153 1043457754 /nfs/dbraw/zinc/45/77/54/1043457754.db2.gz DHDJNWNMEPJFHK-QZTJIDSGSA-N 2 2 358.534 2.686 20 30 FFEDLP N#Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2F)cc(C2C[NH2+]C2)c1 ZINC001240360947 1044321111 /nfs/dbraw/zinc/32/11/11/1044321111.db2.gz QDIXNRPVQSVDGU-UHFFFAOYSA-N 2 2 351.425 2.883 20 30 FFEDLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCC#N)CC3)[C@@H]2C1 ZINC001280181412 1044361278 /nfs/dbraw/zinc/36/12/78/1044361278.db2.gz OGLIYYWAGHYDBR-IPMKNSEASA-N 2 2 360.546 2.629 20 30 FFEDLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCC#N)CC3)[C@@H]2C1 ZINC001280181412 1044361294 /nfs/dbraw/zinc/36/12/94/1044361294.db2.gz OGLIYYWAGHYDBR-IPMKNSEASA-N 2 2 360.546 2.629 20 30 FFEDLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316793812 1044997844 /nfs/dbraw/zinc/99/78/44/1044997844.db2.gz AMESWAUFRHMNRE-APWZRJJASA-N 2 2 361.917 2.612 20 30 FFEDLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316793812 1044997855 /nfs/dbraw/zinc/99/78/55/1044997855.db2.gz AMESWAUFRHMNRE-APWZRJJASA-N 2 2 361.917 2.612 20 30 FFEDLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316793812 1044997864 /nfs/dbraw/zinc/99/78/64/1044997864.db2.gz AMESWAUFRHMNRE-APWZRJJASA-N 2 2 361.917 2.612 20 30 FFEDLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316793812 1044997877 /nfs/dbraw/zinc/99/78/77/1044997877.db2.gz AMESWAUFRHMNRE-APWZRJJASA-N 2 2 361.917 2.612 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001324498711 1046065110 /nfs/dbraw/zinc/06/51/10/1046065110.db2.gz WSQFUDUMCLELCD-OAGGEKHMSA-N 2 2 350.894 2.541 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001351949721 1055083324 /nfs/dbraw/zinc/08/33/24/1055083324.db2.gz RNAAORULUXGIJD-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001351949721 1055083334 /nfs/dbraw/zinc/08/33/34/1055083334.db2.gz RNAAORULUXGIJD-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CC[C@@H](C)[NH+]1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001473641193 1065304265 /nfs/dbraw/zinc/30/42/65/1065304265.db2.gz IFPWXDHQNODSGK-LJQANCHMSA-N 2 2 356.514 2.506 20 30 FFEDLP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001565883071 1076777248 /nfs/dbraw/zinc/77/72/48/1076777248.db2.gz WYBFBILTOCNMLN-YSIASYRMSA-N 2 2 364.493 2.614 20 30 FFEDLP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001565883071 1076777251 /nfs/dbraw/zinc/77/72/51/1076777251.db2.gz WYBFBILTOCNMLN-YSIASYRMSA-N 2 2 364.493 2.614 20 30 FFEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1CC ZINC001569801977 1077167692 /nfs/dbraw/zinc/16/76/92/1077167692.db2.gz LTAOAMMUEBVCAY-GGPKGHCWSA-N 2 2 350.466 2.546 20 30 FFEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1CC ZINC001569801977 1077167695 /nfs/dbraw/zinc/16/76/95/1077167695.db2.gz LTAOAMMUEBVCAY-GGPKGHCWSA-N 2 2 350.466 2.546 20 30 FFEDLP C[NH+](C)CC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000332110372 258214455 /nfs/dbraw/zinc/21/44/55/258214455.db2.gz IMETZVCFDWMHMO-UHFFFAOYSA-N 2 2 368.525 2.715 20 30 FFEDLP Cc1cc(N2CC[NH+](CCOc3ccccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000108716865 507914344 /nfs/dbraw/zinc/91/43/44/507914344.db2.gz UPDRIQPXRQNZTD-UHFFFAOYSA-N 2 2 365.481 2.981 20 30 FFEDLP N#CCCN(C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000075835968 508136728 /nfs/dbraw/zinc/13/67/28/508136728.db2.gz KVHQVQCDLCODBY-IBGZPJMESA-N 2 2 354.498 2.741 20 30 FFEDLP N#CCCN(C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000075835968 508136732 /nfs/dbraw/zinc/13/67/32/508136732.db2.gz KVHQVQCDLCODBY-IBGZPJMESA-N 2 2 354.498 2.741 20 30 FFEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083033087 508234348 /nfs/dbraw/zinc/23/43/48/508234348.db2.gz MHHYCHFIAXMVLS-QGZVFWFLSA-N 2 2 362.437 2.504 20 30 FFEDLP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000156654560 508457671 /nfs/dbraw/zinc/45/76/71/508457671.db2.gz RDISVXZGXJHQJV-JOCHJYFZSA-N 2 2 364.493 2.626 20 30 FFEDLP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000156654560 508457678 /nfs/dbraw/zinc/45/76/78/508457678.db2.gz RDISVXZGXJHQJV-JOCHJYFZSA-N 2 2 364.493 2.626 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000156980941 508505451 /nfs/dbraw/zinc/50/54/51/508505451.db2.gz DIFASNDGOUMJOE-AGHHOFFYSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000156980941 508505454 /nfs/dbraw/zinc/50/54/54/508505454.db2.gz DIFASNDGOUMJOE-AGHHOFFYSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000156980941 508505456 /nfs/dbraw/zinc/50/54/56/508505456.db2.gz DIFASNDGOUMJOE-AGHHOFFYSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000156980941 508505459 /nfs/dbraw/zinc/50/54/59/508505459.db2.gz DIFASNDGOUMJOE-AGHHOFFYSA-N 2 2 368.525 2.780 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158732605 508746025 /nfs/dbraw/zinc/74/60/25/508746025.db2.gz GMUZUMHQYKCUHV-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158732605 508746027 /nfs/dbraw/zinc/74/60/27/508746027.db2.gz GMUZUMHQYKCUHV-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158732605 508746030 /nfs/dbraw/zinc/74/60/30/508746030.db2.gz GMUZUMHQYKCUHV-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158732605 508746033 /nfs/dbraw/zinc/74/60/33/508746033.db2.gz GMUZUMHQYKCUHV-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP NC(=[NH+]OC/C(Cl)=C/Cl)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000124208542 508797413 /nfs/dbraw/zinc/79/74/13/508797413.db2.gz VRUKOKYTTUDTCS-LCYFTJDESA-N 2 2 358.269 2.599 20 30 FFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000191881598 509227841 /nfs/dbraw/zinc/22/78/41/509227841.db2.gz HSTFQERQUHUYLZ-UHFFFAOYSA-N 2 2 358.449 2.770 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000177057397 509844032 /nfs/dbraw/zinc/84/40/32/509844032.db2.gz OVEATFLOTYHXGH-RTBURBONSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000177057397 509844036 /nfs/dbraw/zinc/84/40/36/509844036.db2.gz OVEATFLOTYHXGH-RTBURBONSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000177057397 509844041 /nfs/dbraw/zinc/84/40/41/509844041.db2.gz OVEATFLOTYHXGH-RTBURBONSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000177057397 509844045 /nfs/dbraw/zinc/84/40/45/509844045.db2.gz OVEATFLOTYHXGH-RTBURBONSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000245721969 510107668 /nfs/dbraw/zinc/10/76/68/510107668.db2.gz UVZCYTFGEADCNA-HACGYAERSA-N 2 2 355.442 2.875 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000245721969 510107676 /nfs/dbraw/zinc/10/76/76/510107676.db2.gz UVZCYTFGEADCNA-HACGYAERSA-N 2 2 355.442 2.875 20 30 FFEDLP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652031 510282527 /nfs/dbraw/zinc/28/25/27/510282527.db2.gz KYEYJXMQIWTBJX-GOSISDBHSA-N 2 2 369.513 2.809 20 30 FFEDLP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652031 510282533 /nfs/dbraw/zinc/28/25/33/510282533.db2.gz KYEYJXMQIWTBJX-GOSISDBHSA-N 2 2 369.513 2.809 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2OCC(=O)N(C)C)CC1 ZINC000177910741 510321656 /nfs/dbraw/zinc/32/16/56/510321656.db2.gz ICRHVHLZIMBKAZ-IBGZPJMESA-N 2 2 359.514 2.845 20 30 FFEDLP CC(C)C(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181466591 510426000 /nfs/dbraw/zinc/42/60/00/510426000.db2.gz JGJUEVUYRBXODY-UHFFFAOYSA-N 2 2 368.525 2.759 20 30 FFEDLP Cc1nc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cc[nH+]1 ZINC000184762614 510504805 /nfs/dbraw/zinc/50/48/05/510504805.db2.gz ZPQZWAICHRKTSY-UHFFFAOYSA-N 2 2 351.454 2.790 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000181910849 510654932 /nfs/dbraw/zinc/65/49/32/510654932.db2.gz OVHIWHONQALGLA-JOCHJYFZSA-N 2 2 374.488 2.918 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246885198 510726323 /nfs/dbraw/zinc/72/63/23/510726323.db2.gz QRVNRKHWGFCZAP-AOIWGVFYSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246885198 510726333 /nfs/dbraw/zinc/72/63/33/510726333.db2.gz QRVNRKHWGFCZAP-AOIWGVFYSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246885198 510726346 /nfs/dbraw/zinc/72/63/46/510726346.db2.gz QRVNRKHWGFCZAP-AOIWGVFYSA-N 2 2 358.530 2.666 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247206846 510851963 /nfs/dbraw/zinc/85/19/63/510851963.db2.gz WOQMZOGKHKHICP-SVFBPWRDSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247206846 510851964 /nfs/dbraw/zinc/85/19/64/510851964.db2.gz WOQMZOGKHKHICP-SVFBPWRDSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247206846 510851966 /nfs/dbraw/zinc/85/19/66/510851966.db2.gz WOQMZOGKHKHICP-SVFBPWRDSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247206846 510851968 /nfs/dbraw/zinc/85/19/68/510851968.db2.gz WOQMZOGKHKHICP-SVFBPWRDSA-N 2 2 370.541 2.979 20 30 FFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247319781 510856972 /nfs/dbraw/zinc/85/69/72/510856972.db2.gz SEVVPGVLAJMWRO-HOTGVXAUSA-N 2 2 351.454 2.573 20 30 FFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247319781 510856973 /nfs/dbraw/zinc/85/69/73/510856973.db2.gz SEVVPGVLAJMWRO-HOTGVXAUSA-N 2 2 351.454 2.573 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292080399 511457844 /nfs/dbraw/zinc/45/78/44/511457844.db2.gz FSFMEULEKYKVKU-NQIIRXRSSA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292080399 511457847 /nfs/dbraw/zinc/45/78/47/511457847.db2.gz FSFMEULEKYKVKU-NQIIRXRSSA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292080399 511457850 /nfs/dbraw/zinc/45/78/50/511457850.db2.gz FSFMEULEKYKVKU-NQIIRXRSSA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292080399 511457853 /nfs/dbraw/zinc/45/78/53/511457853.db2.gz FSFMEULEKYKVKU-NQIIRXRSSA-N 2 2 354.498 2.658 20 30 FFEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328755092 511926956 /nfs/dbraw/zinc/92/69/56/511926956.db2.gz FCFMUVLWYBVROX-IXDOHACOSA-N 2 2 361.534 2.880 20 30 FFEDLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000328755092 511926960 /nfs/dbraw/zinc/92/69/60/511926960.db2.gz FCFMUVLWYBVROX-IXDOHACOSA-N 2 2 361.534 2.880 20 30 FFEDLP C[NH+]1CCC2(CCCN2C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000329029014 511969855 /nfs/dbraw/zinc/96/98/55/511969855.db2.gz ANDLGXKRJFVPDU-UHFFFAOYSA-N 2 2 367.497 2.906 20 30 FFEDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329518280 512062097 /nfs/dbraw/zinc/06/20/97/512062097.db2.gz DZFQSQRYFVYXSG-BRWVUGGUSA-N 2 2 373.545 2.826 20 30 FFEDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329518280 512062103 /nfs/dbraw/zinc/06/21/03/512062103.db2.gz DZFQSQRYFVYXSG-BRWVUGGUSA-N 2 2 373.545 2.826 20 30 FFEDLP Cc1ccn2cc(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)nc2c1 ZINC000329608371 512076095 /nfs/dbraw/zinc/07/60/95/512076095.db2.gz NCWWGEYVCCDTOY-UHFFFAOYSA-N 2 2 369.513 2.898 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390635590 512908788 /nfs/dbraw/zinc/90/87/88/512908788.db2.gz FMJQOIAZFXRPAN-LEWJYISDSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390635590 512908792 /nfs/dbraw/zinc/90/87/92/512908792.db2.gz FMJQOIAZFXRPAN-LEWJYISDSA-N 2 2 365.477 2.552 20 30 FFEDLP Cc1cc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C#N)c[nH+]1 ZINC000425207972 513452217 /nfs/dbraw/zinc/45/22/17/513452217.db2.gz NRRZOGJORKOILL-CALCHBBNSA-N 2 2 350.466 2.905 20 30 FFEDLP Cc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C#N)c[nH+]1 ZINC000425207972 513452220 /nfs/dbraw/zinc/45/22/20/513452220.db2.gz NRRZOGJORKOILL-CALCHBBNSA-N 2 2 350.466 2.905 20 30 FFEDLP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)ccc1C#N ZINC000443983089 514090959 /nfs/dbraw/zinc/09/09/59/514090959.db2.gz QKIALWWVXRCENP-UHFFFAOYSA-N 2 2 365.477 2.868 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nn1 ZINC000424296455 514448882 /nfs/dbraw/zinc/44/88/82/514448882.db2.gz OOWRBIZCXHAPAX-HBMCJLEFSA-N 2 2 351.498 2.997 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nn1 ZINC000424296455 514448883 /nfs/dbraw/zinc/44/88/83/514448883.db2.gz OOWRBIZCXHAPAX-HBMCJLEFSA-N 2 2 351.498 2.997 20 30 FFEDLP C=C(C)C[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000475287990 514604071 /nfs/dbraw/zinc/60/40/71/514604071.db2.gz QDEMKJWSYGWKEY-UHFFFAOYSA-N 2 2 351.498 2.807 20 30 FFEDLP C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000475287990 514604084 /nfs/dbraw/zinc/60/40/84/514604084.db2.gz QDEMKJWSYGWKEY-UHFFFAOYSA-N 2 2 351.498 2.807 20 30 FFEDLP C=C(CC)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000459090594 515315286 /nfs/dbraw/zinc/31/52/86/515315286.db2.gz ZWGUZPKGOHPWNJ-RTBURBONSA-N 2 2 350.551 2.931 20 30 FFEDLP C=C(CC)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459090594 515315295 /nfs/dbraw/zinc/31/52/95/515315295.db2.gz ZWGUZPKGOHPWNJ-RTBURBONSA-N 2 2 350.551 2.931 20 30 FFEDLP C=C(C)CCSc1nnc([C@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000505481711 515547742 /nfs/dbraw/zinc/54/77/42/515547742.db2.gz TVHPSTSHZWCYRR-INIZCTEOSA-N 2 2 367.563 2.681 20 30 FFEDLP N#CCCC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000551210124 516607400 /nfs/dbraw/zinc/60/74/00/516607400.db2.gz VTIRZTIEKRXPDT-QFIPXVFZSA-N 2 2 370.541 2.808 20 30 FFEDLP N#CCCC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000551210124 516607407 /nfs/dbraw/zinc/60/74/07/516607407.db2.gz VTIRZTIEKRXPDT-QFIPXVFZSA-N 2 2 370.541 2.808 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068487 516616796 /nfs/dbraw/zinc/61/67/96/516616796.db2.gz FFJFJGLRZAKTAN-DLBZAZTESA-N 2 2 351.454 2.545 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068487 516616804 /nfs/dbraw/zinc/61/68/04/516616804.db2.gz FFJFJGLRZAKTAN-DLBZAZTESA-N 2 2 351.454 2.545 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000518956396 516830715 /nfs/dbraw/zinc/83/07/15/516830715.db2.gz MJDQDIKKAPSTJK-UHFFFAOYSA-N 2 2 355.486 2.582 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000518956396 516830722 /nfs/dbraw/zinc/83/07/22/516830722.db2.gz MJDQDIKKAPSTJK-UHFFFAOYSA-N 2 2 355.486 2.582 20 30 FFEDLP N#Cc1ccnc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)c1 ZINC000541536750 517101541 /nfs/dbraw/zinc/10/15/41/517101541.db2.gz MADKXUNBMDZDRC-UHFFFAOYSA-N 2 2 350.451 2.523 20 30 FFEDLP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000515365625 517319829 /nfs/dbraw/zinc/31/98/29/517319829.db2.gz UBPVPQMKHRNHFD-WOJBJXKFSA-N 2 2 362.433 2.602 20 30 FFEDLP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)C2=O)cc1 ZINC000515365625 517319841 /nfs/dbraw/zinc/31/98/41/517319841.db2.gz UBPVPQMKHRNHFD-WOJBJXKFSA-N 2 2 362.433 2.602 20 30 FFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000557517311 518048694 /nfs/dbraw/zinc/04/86/94/518048694.db2.gz IWQOQUDMZWCIJE-FYYLOGMGSA-N 2 2 361.489 2.944 20 30 FFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000557517311 518048703 /nfs/dbraw/zinc/04/87/03/518048703.db2.gz IWQOQUDMZWCIJE-FYYLOGMGSA-N 2 2 361.489 2.944 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000570407481 518593056 /nfs/dbraw/zinc/59/30/56/518593056.db2.gz CQPAJOUIMATHCB-HOTGVXAUSA-N 2 2 358.511 2.874 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000570407481 518593061 /nfs/dbraw/zinc/59/30/61/518593061.db2.gz CQPAJOUIMATHCB-HOTGVXAUSA-N 2 2 358.511 2.874 20 30 FFEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@H](C#N)CCC#N)CC2)cc1 ZINC000577054901 518893360 /nfs/dbraw/zinc/89/33/60/518893360.db2.gz GOYOFEROMINFLL-SFHVURJKSA-N 2 2 353.470 2.643 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000584108522 519595116 /nfs/dbraw/zinc/59/51/16/519595116.db2.gz HOYPATCTHQQOBJ-RTBURBONSA-N 2 2 355.482 2.827 20 30 FFEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609137217 520203446 /nfs/dbraw/zinc/20/34/46/520203446.db2.gz VNGANGPVASCGGI-NRFANRHFSA-N 2 2 368.525 2.762 20 30 FFEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609137217 520203454 /nfs/dbraw/zinc/20/34/54/520203454.db2.gz VNGANGPVASCGGI-NRFANRHFSA-N 2 2 368.525 2.762 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157792 520213437 /nfs/dbraw/zinc/21/34/37/520213437.db2.gz XDFSPHYZOSUHNI-IEBWSBKVSA-N 2 2 351.454 2.855 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157792 520213441 /nfs/dbraw/zinc/21/34/41/520213441.db2.gz XDFSPHYZOSUHNI-IEBWSBKVSA-N 2 2 351.454 2.855 20 30 FFEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595098868 520292678 /nfs/dbraw/zinc/29/26/78/520292678.db2.gz KAGXBWOAVYQXHY-GMAHTHKFSA-N 2 2 360.505 2.951 20 30 FFEDLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595098868 520292683 /nfs/dbraw/zinc/29/26/83/520292683.db2.gz KAGXBWOAVYQXHY-GMAHTHKFSA-N 2 2 360.505 2.951 20 30 FFEDLP CC(C)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[NH+]1CCCCCC1 ZINC000600719144 520420138 /nfs/dbraw/zinc/42/01/38/520420138.db2.gz BZBAPGNJMSYZLO-RBUKOAKNSA-N 2 2 351.535 2.548 20 30 FFEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000600720849 520422266 /nfs/dbraw/zinc/42/22/66/520422266.db2.gz IMYJSEXLDCQUGU-PKOBYXMFSA-N 2 2 359.514 2.777 20 30 FFEDLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598612788 520742959 /nfs/dbraw/zinc/74/29/59/520742959.db2.gz DCIDHHAXPCUEIR-CVEARBPZSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598612788 520742967 /nfs/dbraw/zinc/74/29/67/520742967.db2.gz DCIDHHAXPCUEIR-CVEARBPZSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598612788 520742977 /nfs/dbraw/zinc/74/29/77/520742977.db2.gz DCIDHHAXPCUEIR-CVEARBPZSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598612788 520742982 /nfs/dbraw/zinc/74/29/82/520742982.db2.gz DCIDHHAXPCUEIR-CVEARBPZSA-N 2 2 350.532 2.506 20 30 FFEDLP CC(C)C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000602032322 521090818 /nfs/dbraw/zinc/09/08/18/521090818.db2.gz HJQGSSDPWVUQMY-HXUWFJFHSA-N 2 2 365.481 2.686 20 30 FFEDLP CCC(=O)N1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593692571 521161209 /nfs/dbraw/zinc/16/12/09/521161209.db2.gz GJUIPMNOEHSJEJ-UHFFFAOYSA-N 2 2 354.498 2.513 20 30 FFEDLP N#CCC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000602766380 521521679 /nfs/dbraw/zinc/52/16/79/521521679.db2.gz RLNRATIXKGWCAY-IBGZPJMESA-N 2 2 353.514 2.609 20 30 FFEDLP N#CCC1(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000602766380 521521681 /nfs/dbraw/zinc/52/16/81/521521681.db2.gz RLNRATIXKGWCAY-IBGZPJMESA-N 2 2 353.514 2.609 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000623427108 522013661 /nfs/dbraw/zinc/01/36/61/522013661.db2.gz MTPRLLQZCMIYKK-HNNXBMFYSA-N 2 2 368.905 2.971 20 30 FFEDLP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000924957713 738465746 /nfs/dbraw/zinc/46/57/46/738465746.db2.gz NCIVFICXKKXYAT-JKSUJKDBSA-N 2 2 352.523 2.846 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001048564864 743409344 /nfs/dbraw/zinc/40/93/44/743409344.db2.gz AGHYRUYOTXQFFZ-ZHCJQAHYSA-N 2 2 362.905 2.635 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001048564864 743409349 /nfs/dbraw/zinc/40/93/49/743409349.db2.gz AGHYRUYOTXQFFZ-ZHCJQAHYSA-N 2 2 362.905 2.635 20 30 FFEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)/N=C/c1cc(Br)ccc1O ZINC000849169509 749064612 /nfs/dbraw/zinc/06/46/12/749064612.db2.gz DKIDLQNPFPGCRQ-FHXOWUIVSA-N 2 2 356.308 2.846 20 30 FFEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)/N=C/c1cc(Br)ccc1O ZINC000849169509 749064616 /nfs/dbraw/zinc/06/46/16/749064616.db2.gz DKIDLQNPFPGCRQ-FHXOWUIVSA-N 2 2 356.308 2.846 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971869 971410150 /nfs/dbraw/zinc/41/01/50/971410150.db2.gz XPZBPRKRVRQQDW-BBWFWOEESA-N 2 2 364.921 2.929 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088018872 971881250 /nfs/dbraw/zinc/88/12/50/971881250.db2.gz OHPKPCMOYGJRTR-KURKYZTESA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088018872 971881252 /nfs/dbraw/zinc/88/12/52/971881252.db2.gz OHPKPCMOYGJRTR-KURKYZTESA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]2C1 ZINC001088018872 971881257 /nfs/dbraw/zinc/88/12/57/971881257.db2.gz OHPKPCMOYGJRTR-KURKYZTESA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]2C1 ZINC001088018872 971881260 /nfs/dbraw/zinc/88/12/60/971881260.db2.gz OHPKPCMOYGJRTR-KURKYZTESA-N 2 2 356.514 2.570 20 30 FFEDLP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001075453750 966842511 /nfs/dbraw/zinc/84/25/11/966842511.db2.gz AGFCAOXBIJTYLN-MISYRCLQSA-N 2 2 368.525 2.877 20 30 FFEDLP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001075453750 966842520 /nfs/dbraw/zinc/84/25/20/966842520.db2.gz AGFCAOXBIJTYLN-MISYRCLQSA-N 2 2 368.525 2.877 20 30 FFEDLP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001075453750 966842529 /nfs/dbraw/zinc/84/25/29/966842529.db2.gz AGFCAOXBIJTYLN-MISYRCLQSA-N 2 2 368.525 2.877 20 30 FFEDLP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001075453750 966842540 /nfs/dbraw/zinc/84/25/40/966842540.db2.gz AGFCAOXBIJTYLN-MISYRCLQSA-N 2 2 368.525 2.877 20 30 FFEDLP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023373723 967749957 /nfs/dbraw/zinc/74/99/57/967749957.db2.gz BVLSALDHXXYFDP-VAMGGRTRSA-N 2 2 370.541 2.948 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023373723 967749965 /nfs/dbraw/zinc/74/99/65/967749965.db2.gz BVLSALDHXXYFDP-VAMGGRTRSA-N 2 2 370.541 2.948 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H]1CC ZINC001087580696 968228805 /nfs/dbraw/zinc/22/88/05/968228805.db2.gz SRKRYXFHCMFJAK-KFKAGJAMSA-N 2 2 359.518 2.725 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H]1CC ZINC001087580696 968228815 /nfs/dbraw/zinc/22/88/15/968228815.db2.gz SRKRYXFHCMFJAK-KFKAGJAMSA-N 2 2 359.518 2.725 20 30 FFEDLP C=C(C)CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H]1CC ZINC001087580696 968228821 /nfs/dbraw/zinc/22/88/21/968228821.db2.gz SRKRYXFHCMFJAK-KFKAGJAMSA-N 2 2 359.518 2.725 20 30 FFEDLP C=C(C)CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H]1CC ZINC001087580696 968228831 /nfs/dbraw/zinc/22/88/31/968228831.db2.gz SRKRYXFHCMFJAK-KFKAGJAMSA-N 2 2 359.518 2.725 20 30 FFEDLP C[N@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985482341 974200847 /nfs/dbraw/zinc/20/08/47/974200847.db2.gz XGXXTTFEVGCRIR-RTBURBONSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985482341 974200851 /nfs/dbraw/zinc/20/08/51/974200851.db2.gz XGXXTTFEVGCRIR-RTBURBONSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000985482341 974200861 /nfs/dbraw/zinc/20/08/61/974200861.db2.gz XGXXTTFEVGCRIR-RTBURBONSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000985482341 974200870 /nfs/dbraw/zinc/20/08/70/974200870.db2.gz XGXXTTFEVGCRIR-RTBURBONSA-N 2 2 363.465 2.508 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC)CC[C@@H]1c1ccccc1 ZINC001087429820 975879343 /nfs/dbraw/zinc/87/93/43/975879343.db2.gz FNHDEOITHLYGOL-VSKRKVRLSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC)CC[C@@H]1c1ccccc1 ZINC001087429820 975879354 /nfs/dbraw/zinc/87/93/54/975879354.db2.gz FNHDEOITHLYGOL-VSKRKVRLSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)CC[C@@H]1c1ccccc1 ZINC001087429820 975879365 /nfs/dbraw/zinc/87/93/65/975879365.db2.gz FNHDEOITHLYGOL-VSKRKVRLSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)CC[C@@H]1c1ccccc1 ZINC001087429820 975879374 /nfs/dbraw/zinc/87/93/74/975879374.db2.gz FNHDEOITHLYGOL-VSKRKVRLSA-N 2 2 367.537 2.858 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211713473 977384086 /nfs/dbraw/zinc/38/40/86/977384086.db2.gz NFDYELYJLUDCIY-AZUAARDMSA-N 2 2 352.482 2.811 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087456286 977806712 /nfs/dbraw/zinc/80/67/12/977806712.db2.gz NBNVIETYUVUWIG-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087456286 977806724 /nfs/dbraw/zinc/80/67/24/977806724.db2.gz NBNVIETYUVUWIG-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001087456286 977806734 /nfs/dbraw/zinc/80/67/34/977806734.db2.gz NBNVIETYUVUWIG-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001087456286 977806744 /nfs/dbraw/zinc/80/67/44/977806744.db2.gz NBNVIETYUVUWIG-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087459600 977981842 /nfs/dbraw/zinc/98/18/42/977981842.db2.gz NDHJAMBIKRHAES-WOJBJXKFSA-N 2 2 370.472 2.652 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087459600 977981851 /nfs/dbraw/zinc/98/18/51/977981851.db2.gz NDHJAMBIKRHAES-WOJBJXKFSA-N 2 2 370.472 2.652 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088563292 981120965 /nfs/dbraw/zinc/12/09/65/981120965.db2.gz LDEMRQNQJIOAHL-JLSDUUJJSA-N 2 2 360.527 2.572 20 30 FFEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088563292 981120970 /nfs/dbraw/zinc/12/09/70/981120970.db2.gz LDEMRQNQJIOAHL-JLSDUUJJSA-N 2 2 360.527 2.572 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088563292 981120973 /nfs/dbraw/zinc/12/09/73/981120973.db2.gz LDEMRQNQJIOAHL-JLSDUUJJSA-N 2 2 360.527 2.572 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088563292 981120978 /nfs/dbraw/zinc/12/09/78/981120978.db2.gz LDEMRQNQJIOAHL-JLSDUUJJSA-N 2 2 360.527 2.572 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000126748478 1014749532 /nfs/dbraw/zinc/74/95/32/1014749532.db2.gz NZPDCQRAERVWJV-UHFFFAOYSA-N 2 2 351.450 2.559 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088663039 982238747 /nfs/dbraw/zinc/23/87/47/982238747.db2.gz MSHLYLCDVSJCOY-APWZRJJASA-N 2 2 358.445 2.807 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088663039 982238756 /nfs/dbraw/zinc/23/87/56/982238756.db2.gz MSHLYLCDVSJCOY-APWZRJJASA-N 2 2 358.445 2.807 20 30 FFEDLP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000083032284 984041973 /nfs/dbraw/zinc/04/19/73/984041973.db2.gz JFOQXYWIWSIWKI-YOEHRIQHSA-N 2 2 370.522 2.923 20 30 FFEDLP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000083032284 984041978 /nfs/dbraw/zinc/04/19/78/984041978.db2.gz JFOQXYWIWSIWKI-YOEHRIQHSA-N 2 2 370.522 2.923 20 30 FFEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1C#N ZINC000174403709 986206258 /nfs/dbraw/zinc/20/62/58/986206258.db2.gz BPUWZOWPWOYPMH-JXFKEZNVSA-N 2 2 350.466 2.962 20 30 FFEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1C#N ZINC000174403709 986206268 /nfs/dbraw/zinc/20/62/68/986206268.db2.gz BPUWZOWPWOYPMH-JXFKEZNVSA-N 2 2 350.466 2.962 20 30 FFEDLP C[C@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272836967 986735106 /nfs/dbraw/zinc/73/51/06/986735106.db2.gz AWIABJNFZCIZAC-ZTFGCOKTSA-N 2 2 370.884 2.703 20 30 FFEDLP C[C@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272836967 986735118 /nfs/dbraw/zinc/73/51/18/986735118.db2.gz AWIABJNFZCIZAC-ZTFGCOKTSA-N 2 2 370.884 2.703 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC000922808330 988928929 /nfs/dbraw/zinc/92/89/29/988928929.db2.gz XRTRZVPHVICKES-OAQYLSRUSA-N 2 2 369.509 2.840 20 30 FFEDLP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484196497 991456337 /nfs/dbraw/zinc/45/63/37/991456337.db2.gz UNAPHSDHUNGTOV-BZUAXINKSA-N 2 2 366.456 2.563 20 30 FFEDLP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484196497 991456340 /nfs/dbraw/zinc/45/63/40/991456340.db2.gz UNAPHSDHUNGTOV-BZUAXINKSA-N 2 2 366.456 2.563 20 30 FFEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001079158949 991863175 /nfs/dbraw/zinc/86/31/75/991863175.db2.gz CBLMIXNCUCPAFX-FFZOFVMBSA-N 2 2 368.456 2.581 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079701040 992340709 /nfs/dbraw/zinc/34/07/09/992340709.db2.gz UBDLLMQYLQVWFA-UWWQBHOKSA-N 2 2 353.938 2.830 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079701040 992340720 /nfs/dbraw/zinc/34/07/20/992340720.db2.gz UBDLLMQYLQVWFA-UWWQBHOKSA-N 2 2 353.938 2.830 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079701040 992340726 /nfs/dbraw/zinc/34/07/26/992340726.db2.gz UBDLLMQYLQVWFA-UWWQBHOKSA-N 2 2 353.938 2.830 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079701040 992340736 /nfs/dbraw/zinc/34/07/36/992340736.db2.gz UBDLLMQYLQVWFA-UWWQBHOKSA-N 2 2 353.938 2.830 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1C ZINC001079879360 992522997 /nfs/dbraw/zinc/52/29/97/992522997.db2.gz OOFSVAOQULZUNH-YHYVQYDKSA-N 2 2 365.521 2.598 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@H]1C ZINC001079879360 992523004 /nfs/dbraw/zinc/52/30/04/992523004.db2.gz OOFSVAOQULZUNH-YHYVQYDKSA-N 2 2 365.521 2.598 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C2CC2)C[C@H]1C ZINC001079879360 992523013 /nfs/dbraw/zinc/52/30/13/992523013.db2.gz OOFSVAOQULZUNH-YHYVQYDKSA-N 2 2 365.521 2.598 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C2CC2)C[C@H]1C ZINC001079879360 992523023 /nfs/dbraw/zinc/52/30/23/992523023.db2.gz OOFSVAOQULZUNH-YHYVQYDKSA-N 2 2 365.521 2.598 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001081189040 993745714 /nfs/dbraw/zinc/74/57/14/993745714.db2.gz LTZLWVWUAPDZAQ-YSIASYRMSA-N 2 2 352.482 2.995 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001085232035 999218212 /nfs/dbraw/zinc/21/82/12/999218212.db2.gz IAECTJUDNDGDRA-NCXUSEDFSA-N 2 2 363.465 2.602 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001085232035 999218217 /nfs/dbraw/zinc/21/82/17/999218217.db2.gz IAECTJUDNDGDRA-NCXUSEDFSA-N 2 2 363.465 2.602 20 30 FFEDLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001109770933 1000979088 /nfs/dbraw/zinc/97/90/88/1000979088.db2.gz HNJMODUBOASCMG-LDTOTXGLSA-N 2 2 363.465 2.628 20 30 FFEDLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001109770933 1000979094 /nfs/dbraw/zinc/97/90/94/1000979094.db2.gz HNJMODUBOASCMG-LDTOTXGLSA-N 2 2 363.465 2.628 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001112563166 1001484352 /nfs/dbraw/zinc/48/43/52/1001484352.db2.gz IUISYSXPNOZQMH-KSSFIOAISA-N 2 2 350.894 2.658 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CC1 ZINC000788244284 1001777283 /nfs/dbraw/zinc/77/72/83/1001777283.db2.gz OYYYTHSSLKHWFZ-GOSISDBHSA-N 2 2 368.525 2.776 20 30 FFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc4c(cc[nH]c4=O)c3)cc2)CC1 ZINC000789073172 1001956031 /nfs/dbraw/zinc/95/60/31/1001956031.db2.gz FYIUMHKKLIJDHO-UHFFFAOYSA-N 2 2 361.449 2.726 20 30 FFEDLP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001086594606 1002573611 /nfs/dbraw/zinc/57/36/11/1002573611.db2.gz KAIXDPBDEFVOHF-VQTJNVASSA-N 2 2 364.493 2.534 20 30 FFEDLP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001086594606 1002573624 /nfs/dbraw/zinc/57/36/24/1002573624.db2.gz KAIXDPBDEFVOHF-VQTJNVASSA-N 2 2 364.493 2.534 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)ccc1C ZINC001095555432 1016746914 /nfs/dbraw/zinc/74/69/14/1016746914.db2.gz MDOHMSFZSZSPKD-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)ccc1C ZINC001095555432 1016746926 /nfs/dbraw/zinc/74/69/26/1016746926.db2.gz MDOHMSFZSZSPKD-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)ccc1C ZINC001095555432 1016746938 /nfs/dbraw/zinc/74/69/38/1016746938.db2.gz MDOHMSFZSZSPKD-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)ccc1C ZINC001095555432 1016746950 /nfs/dbraw/zinc/74/69/50/1016746950.db2.gz MDOHMSFZSZSPKD-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001489097042 1005408111 /nfs/dbraw/zinc/40/81/11/1005408111.db2.gz VEMYUDFUAPRWOH-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001489097042 1005408112 /nfs/dbraw/zinc/40/81/12/1005408112.db2.gz VEMYUDFUAPRWOH-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795716 1005863054 /nfs/dbraw/zinc/86/30/54/1005863054.db2.gz YSZCARHRMZYHQX-KRWDZBQOSA-N 2 2 372.432 2.757 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188368900 1006533158 /nfs/dbraw/zinc/53/31/58/1006533158.db2.gz BSXUTLWRSTYLRR-CMKODMSKSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188368900 1006533168 /nfs/dbraw/zinc/53/31/68/1006533168.db2.gz BSXUTLWRSTYLRR-CMKODMSKSA-N 2 2 356.514 2.725 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)Nc3ccccc3C#N)CC2)CC1 ZINC000817566173 1007651231 /nfs/dbraw/zinc/65/12/31/1007651231.db2.gz JLEXDPXQNZVMBO-UHFFFAOYSA-N 2 2 371.554 2.747 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)Nc3ccccc3C#N)CC2)CC1 ZINC000817566173 1007651234 /nfs/dbraw/zinc/65/12/34/1007651234.db2.gz JLEXDPXQNZVMBO-UHFFFAOYSA-N 2 2 371.554 2.747 20 30 FFEDLP C#Cc1cccc(NC(=S)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000817565933 1007651698 /nfs/dbraw/zinc/65/16/98/1007651698.db2.gz INDSURNZOHTOAT-UHFFFAOYSA-N 2 2 370.566 2.857 20 30 FFEDLP C#Cc1cccc(NC(=S)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000817565933 1007651704 /nfs/dbraw/zinc/65/17/04/1007651704.db2.gz INDSURNZOHTOAT-UHFFFAOYSA-N 2 2 370.566 2.857 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H]2[C@H]3[C@H]4C[C@@H]2C[C@@H]4CN3C(=O)OC(C)(C)C)CC1 ZINC000820810344 1008374425 /nfs/dbraw/zinc/37/44/25/1008374425.db2.gz VENGWWXMBPKKRG-BSWVEEBUSA-N 2 2 361.530 2.870 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001093100809 1009834325 /nfs/dbraw/zinc/83/43/25/1009834325.db2.gz HLNZPNQRWRYMPS-RHSMWYFYSA-N 2 2 358.873 2.923 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC001093100809 1009834343 /nfs/dbraw/zinc/83/43/43/1009834343.db2.gz HLNZPNQRWRYMPS-RHSMWYFYSA-N 2 2 358.873 2.923 20 30 FFEDLP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093373485 1010231261 /nfs/dbraw/zinc/23/12/61/1010231261.db2.gz NJTZTFPOUUELKJ-GGPKGHCWSA-N 2 2 366.509 2.630 20 30 FFEDLP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093373485 1010231268 /nfs/dbraw/zinc/23/12/68/1010231268.db2.gz NJTZTFPOUUELKJ-GGPKGHCWSA-N 2 2 366.509 2.630 20 30 FFEDLP CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093373485 1010231275 /nfs/dbraw/zinc/23/12/75/1010231275.db2.gz NJTZTFPOUUELKJ-GGPKGHCWSA-N 2 2 366.509 2.630 20 30 FFEDLP CC#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093373485 1010231280 /nfs/dbraw/zinc/23/12/80/1010231280.db2.gz NJTZTFPOUUELKJ-GGPKGHCWSA-N 2 2 366.509 2.630 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450398 1011139077 /nfs/dbraw/zinc/13/90/77/1011139077.db2.gz OQKZWMYUQYRGIH-SZVBFZGTSA-N 2 2 362.905 2.559 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450398 1011139081 /nfs/dbraw/zinc/13/90/81/1011139081.db2.gz OQKZWMYUQYRGIH-SZVBFZGTSA-N 2 2 362.905 2.559 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC001094450778 1011139925 /nfs/dbraw/zinc/13/99/25/1011139925.db2.gz KEAZLDBNRNRCNR-LDQXTDLNSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC001094450778 1011139927 /nfs/dbraw/zinc/13/99/27/1011139927.db2.gz KEAZLDBNRNRCNR-LDQXTDLNSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC001094450778 1011139930 /nfs/dbraw/zinc/13/99/30/1011139930.db2.gz KEAZLDBNRNRCNR-LDQXTDLNSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC001094450778 1011139934 /nfs/dbraw/zinc/13/99/34/1011139934.db2.gz KEAZLDBNRNRCNR-LDQXTDLNSA-N 2 2 356.514 2.760 20 30 FFEDLP CCCCCCCCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275118927 1011961458 /nfs/dbraw/zinc/96/14/58/1011961458.db2.gz LGKJSQFSAYCIDJ-UHFFFAOYSA-N 2 2 353.551 2.602 20 30 FFEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968895 1012137387 /nfs/dbraw/zinc/13/73/87/1012137387.db2.gz ADALBAYIUVVIHM-KURKYZTESA-N 2 2 364.534 2.988 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C#N ZINC001172973033 1012142626 /nfs/dbraw/zinc/14/26/26/1012142626.db2.gz FCJGFPZYVSCNLP-NUJGCVRESA-N 2 2 362.518 2.885 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C#N ZINC001172973033 1012142635 /nfs/dbraw/zinc/14/26/35/1012142635.db2.gz FCJGFPZYVSCNLP-NUJGCVRESA-N 2 2 362.518 2.885 20 30 FFEDLP N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001275300264 1012241191 /nfs/dbraw/zinc/24/11/91/1012241191.db2.gz QVBBMXCRJMAFBQ-KRWDZBQOSA-N 2 2 351.454 2.585 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC([NH2+]CC[NH+]3CCCCCC3)CC2)cc1 ZINC001173422906 1012571395 /nfs/dbraw/zinc/57/13/95/1012571395.db2.gz ZKMXTDQUDWKHFN-UHFFFAOYSA-N 2 2 354.498 2.628 20 30 FFEDLP CCOC(=O)[C@@]12C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]1C[NH2+]CCC2 ZINC001222130388 1032773479 /nfs/dbraw/zinc/77/34/79/1032773479.db2.gz DXPQQGIKOWJNOP-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP CCOC(=O)[C@@]12C[N@@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]1C[NH2+]CCC2 ZINC001222130388 1032773488 /nfs/dbraw/zinc/77/34/88/1032773488.db2.gz DXPQQGIKOWJNOP-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP CCC[N@H+](CC(=O)NC1(C#N)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934184676 1021161426 /nfs/dbraw/zinc/16/14/26/1021161426.db2.gz GFDMZZYAGTVNKK-UHFFFAOYSA-N 2 2 368.525 2.925 20 30 FFEDLP CCC[N@@H+](CC(=O)NC1(C#N)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000934184676 1021161432 /nfs/dbraw/zinc/16/14/32/1021161432.db2.gz GFDMZZYAGTVNKK-UHFFFAOYSA-N 2 2 368.525 2.925 20 30 FFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271325 1022900370 /nfs/dbraw/zinc/90/03/70/1022900370.db2.gz MZUUTTNLUMUUDM-LZQZEXGQSA-N 2 2 351.454 2.569 20 30 FFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271325 1022900380 /nfs/dbraw/zinc/90/03/80/1022900380.db2.gz MZUUTTNLUMUUDM-LZQZEXGQSA-N 2 2 351.454 2.569 20 30 FFEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111298557 1023673063 /nfs/dbraw/zinc/67/30/63/1023673063.db2.gz DFJHOTYQHJFHKW-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111298557 1023673065 /nfs/dbraw/zinc/67/30/65/1023673065.db2.gz DFJHOTYQHJFHKW-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001218540613 1033209092 /nfs/dbraw/zinc/20/90/92/1033209092.db2.gz DIMMIKBZPOFEQT-AWEZNQCLSA-N 2 2 369.425 2.668 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102596286 1026388469 /nfs/dbraw/zinc/38/84/69/1026388469.db2.gz XQBQDSZCDRAQMX-CZUORRHYSA-N 2 2 367.946 2.543 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102596286 1026388481 /nfs/dbraw/zinc/38/84/81/1026388481.db2.gz XQBQDSZCDRAQMX-CZUORRHYSA-N 2 2 367.946 2.543 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102596286 1026388494 /nfs/dbraw/zinc/38/84/94/1026388494.db2.gz XQBQDSZCDRAQMX-CZUORRHYSA-N 2 2 367.946 2.543 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102596286 1026388506 /nfs/dbraw/zinc/38/85/06/1026388506.db2.gz XQBQDSZCDRAQMX-CZUORRHYSA-N 2 2 367.946 2.543 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237110 1027089690 /nfs/dbraw/zinc/08/96/90/1027089690.db2.gz GVOXMZGDPJCBSN-GDBMZVCRSA-N 2 2 364.921 2.589 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001103237110 1027089697 /nfs/dbraw/zinc/08/96/97/1027089697.db2.gz GVOXMZGDPJCBSN-GDBMZVCRSA-N 2 2 364.921 2.589 20 30 FFEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001153413457 1027867079 /nfs/dbraw/zinc/86/70/79/1027867079.db2.gz AONOZILSPPXYIZ-GUDVDZBRSA-N 2 2 358.530 2.947 20 30 FFEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001153413457 1027867097 /nfs/dbraw/zinc/86/70/97/1027867097.db2.gz AONOZILSPPXYIZ-GUDVDZBRSA-N 2 2 358.530 2.947 20 30 FFEDLP N#Cc1ccc2cc[nH+]c(N[C@@H](CCCC[NH3+])C(=O)N3CCCC3)c2c1 ZINC001163457094 1028933245 /nfs/dbraw/zinc/93/32/45/1028933245.db2.gz QOGIFGQACVJNKA-SFHVURJKSA-N 2 2 351.454 2.638 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112215781 1030262223 /nfs/dbraw/zinc/26/22/23/1030262223.db2.gz MMTTWAWJZWRDMT-HUUCEWRRSA-N 2 2 358.408 2.608 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001112438341 1030810314 /nfs/dbraw/zinc/81/03/14/1030810314.db2.gz BYKRMQIZWUVNEZ-WFXMLNOXSA-N 2 2 356.514 2.630 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001112439313 1030812875 /nfs/dbraw/zinc/81/28/75/1030812875.db2.gz SQYSJGZJSDUYMX-LQWHRVPQSA-N 2 2 356.514 2.630 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OCC)c(OC)c2)CC1 ZINC001204362564 1031255160 /nfs/dbraw/zinc/25/51/60/1031255160.db2.gz XSUGWZUTPMXDNS-UHFFFAOYSA-N 2 2 373.541 2.886 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205458432 1031763862 /nfs/dbraw/zinc/76/38/62/1031763862.db2.gz LFBMRANSFBCDPI-LSTHTHJFSA-N 2 2 370.472 2.961 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]21 ZINC001223900624 1033636061 /nfs/dbraw/zinc/63/60/61/1033636061.db2.gz IHZQZRFSIJUEOL-XLIONFOSSA-N 2 2 365.481 2.770 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@@H]21 ZINC001223900624 1033636070 /nfs/dbraw/zinc/63/60/70/1033636070.db2.gz IHZQZRFSIJUEOL-XLIONFOSSA-N 2 2 365.481 2.770 20 30 FFEDLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001225936512 1034459289 /nfs/dbraw/zinc/45/92/89/1034459289.db2.gz QBFTUAAEGHGAFO-RTBURBONSA-N 2 2 368.456 2.550 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001221652367 1034951173 /nfs/dbraw/zinc/95/11/73/1034951173.db2.gz OJKVHINRVKZFHA-QWFCFKBJSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001221652367 1034951186 /nfs/dbraw/zinc/95/11/86/1034951186.db2.gz OJKVHINRVKZFHA-QWFCFKBJSA-N 2 2 356.514 2.725 20 30 FFEDLP N#Cc1ccnc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001232475996 1035721046 /nfs/dbraw/zinc/72/10/46/1035721046.db2.gz QAQUGBCSHQZCDC-UHFFFAOYSA-N 2 2 368.506 2.882 20 30 FFEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001229464602 1036688918 /nfs/dbraw/zinc/68/89/18/1036688918.db2.gz AVRQPIBQWHPKNR-WOJBJXKFSA-N 2 2 368.481 2.706 20 30 FFEDLP C#Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)c1 ZINC001231658296 1037781542 /nfs/dbraw/zinc/78/15/42/1037781542.db2.gz UOZVEYUIQLJRJO-HXUWFJFHSA-N 2 2 354.494 2.907 20 30 FFEDLP C#Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OCC)C3)CC2)c1 ZINC001231658296 1037781560 /nfs/dbraw/zinc/78/15/60/1037781560.db2.gz UOZVEYUIQLJRJO-HXUWFJFHSA-N 2 2 354.494 2.907 20 30 FFEDLP C#CCCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528680 1038545977 /nfs/dbraw/zinc/54/59/77/1038545977.db2.gz JMONPJFOWWGIMI-JBACZVJFSA-N 2 2 353.510 2.643 20 30 FFEDLP C#CCCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528680 1038545983 /nfs/dbraw/zinc/54/59/83/1038545983.db2.gz JMONPJFOWWGIMI-JBACZVJFSA-N 2 2 353.510 2.643 20 30 FFEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208857902 1038558397 /nfs/dbraw/zinc/55/83/97/1038558397.db2.gz AZPQKZBFSGTDSP-JOCHJYFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208857902 1038558405 /nfs/dbraw/zinc/55/84/05/1038558405.db2.gz AZPQKZBFSGTDSP-JOCHJYFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208857902 1038558409 /nfs/dbraw/zinc/55/84/09/1038558409.db2.gz AZPQKZBFSGTDSP-JOCHJYFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208857902 1038558417 /nfs/dbraw/zinc/55/84/17/1038558417.db2.gz AZPQKZBFSGTDSP-JOCHJYFZSA-N 2 2 371.525 2.552 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2cc(F)c(F)cc2F)CC1 ZINC001209256399 1038736710 /nfs/dbraw/zinc/73/67/10/1038736710.db2.gz BDIOQEWTOPXCBF-UHFFFAOYSA-N 2 2 367.459 2.938 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](OC)C1 ZINC001213232871 1040358396 /nfs/dbraw/zinc/35/83/96/1040358396.db2.gz NPQNTCMWQMYNTI-NSISKUIASA-N 2 2 368.481 2.656 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](OC)C1 ZINC001213232871 1040358411 /nfs/dbraw/zinc/35/84/11/1040358411.db2.gz NPQNTCMWQMYNTI-NSISKUIASA-N 2 2 368.481 2.656 20 30 FFEDLP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)CC1 ZINC001254853392 1041005514 /nfs/dbraw/zinc/00/55/14/1041005514.db2.gz OFHVNDBLIRVNQX-IBGZPJMESA-N 2 2 361.530 2.971 20 30 FFEDLP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C2)CC1 ZINC001254853392 1041005526 /nfs/dbraw/zinc/00/55/26/1041005526.db2.gz OFHVNDBLIRVNQX-IBGZPJMESA-N 2 2 361.530 2.971 20 30 FFEDLP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(C#Cc3ccccc3)s1)C2 ZINC001278847745 1041186673 /nfs/dbraw/zinc/18/66/73/1041186673.db2.gz WERZOXFHGNPZPJ-UHFFFAOYSA-N 2 2 365.546 2.970 20 30 FFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001214672499 1041527654 /nfs/dbraw/zinc/52/76/54/1041527654.db2.gz LDIQOYPGRAQWTN-IEBWSBKVSA-N 2 2 358.530 2.945 20 30 FFEDLP N#Cc1ccc(F)c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1F ZINC001279132858 1042912220 /nfs/dbraw/zinc/91/22/20/1042912220.db2.gz CPXQUADXQQSWJN-UHFFFAOYSA-N 2 2 357.408 2.658 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)cc(C#N)c4)C[C@@H]3C2)cn1 ZINC001237749964 1043339850 /nfs/dbraw/zinc/33/98/50/1043339850.db2.gz DCTPPHUTUMEELD-MOPGFXCFSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)cc(C#N)c4)C[C@@H]3C2)cn1 ZINC001237749964 1043339858 /nfs/dbraw/zinc/33/98/58/1043339858.db2.gz DCTPPHUTUMEELD-MOPGFXCFSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(Cl)cc(C#N)c4)C[C@@H]3C2)cn1 ZINC001237749964 1043339867 /nfs/dbraw/zinc/33/98/67/1043339867.db2.gz DCTPPHUTUMEELD-MOPGFXCFSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(Cl)cc(C#N)c4)C[C@@H]3C2)cn1 ZINC001237749964 1043339874 /nfs/dbraw/zinc/33/98/74/1043339874.db2.gz DCTPPHUTUMEELD-MOPGFXCFSA-N 2 2 369.900 2.899 20 30 FFEDLP C=CCCC[N@@H+]1C[C@H]2C[C@@H](CC(=O)Nc3cccc4[nH+]ccn43)O[C@H]2C1 ZINC001280121698 1044251570 /nfs/dbraw/zinc/25/15/70/1044251570.db2.gz WCDJISJVJVTOIW-IKGGRYGDSA-N 2 2 354.454 2.718 20 30 FFEDLP C=CCCC[N@H+]1C[C@H]2C[C@@H](CC(=O)Nc3cccc4[nH+]ccn43)O[C@H]2C1 ZINC001280121698 1044251580 /nfs/dbraw/zinc/25/15/80/1044251580.db2.gz WCDJISJVJVTOIW-IKGGRYGDSA-N 2 2 354.454 2.718 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001331912571 1048168779 /nfs/dbraw/zinc/16/87/79/1048168779.db2.gz XIJSPIYTPPXOQX-UHFFFAOYSA-N 2 2 355.486 2.995 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001340263778 1050668598 /nfs/dbraw/zinc/66/85/98/1050668598.db2.gz ISPCSROMHPRLAQ-BZSNNMDCSA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001340263778 1050668600 /nfs/dbraw/zinc/66/86/00/1050668600.db2.gz ISPCSROMHPRLAQ-BZSNNMDCSA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001340263778 1050668603 /nfs/dbraw/zinc/66/86/03/1050668603.db2.gz ISPCSROMHPRLAQ-BZSNNMDCSA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001340263778 1050668606 /nfs/dbraw/zinc/66/86/06/1050668606.db2.gz ISPCSROMHPRLAQ-BZSNNMDCSA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001342098791 1050693667 /nfs/dbraw/zinc/69/36/67/1050693667.db2.gz BBKFKOCQKBOOHR-GOSISDBHSA-N 2 2 358.534 2.515 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001340422322 1050817495 /nfs/dbraw/zinc/81/74/95/1050817495.db2.gz QZZIAORSTDJDMG-SFHVURJKSA-N 2 2 358.534 2.515 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001340589664 1050974082 /nfs/dbraw/zinc/97/40/82/1050974082.db2.gz ZNQMQHBUFXRTLD-PKOBYXMFSA-N 2 2 370.545 2.513 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001340589664 1050974095 /nfs/dbraw/zinc/97/40/95/1050974095.db2.gz ZNQMQHBUFXRTLD-PKOBYXMFSA-N 2 2 370.545 2.513 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308165623 1052422474 /nfs/dbraw/zinc/42/24/74/1052422474.db2.gz PREFIFFIZPUSJT-IAGOWNOFSA-N 2 2 359.518 2.826 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308165623 1052422477 /nfs/dbraw/zinc/42/24/77/1052422477.db2.gz PREFIFFIZPUSJT-IAGOWNOFSA-N 2 2 359.518 2.826 20 30 FFEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)c(Br)c2)CC1 ZINC001336546417 1054056142 /nfs/dbraw/zinc/05/61/42/1054056142.db2.gz SGJAYKJPUPMXGM-UHFFFAOYSA-N 2 2 351.292 2.759 20 30 FFEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)CC1 ZINC001338889286 1055907202 /nfs/dbraw/zinc/90/72/02/1055907202.db2.gz ZBDGCFKTSKQVGQ-OAQYLSRUSA-N 2 2 353.510 2.517 20 30 FFEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)CC1 ZINC001338889286 1055907216 /nfs/dbraw/zinc/90/72/16/1055907216.db2.gz ZBDGCFKTSKQVGQ-OAQYLSRUSA-N 2 2 353.510 2.517 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000072803394 507855905 /nfs/dbraw/zinc/85/59/05/507855905.db2.gz PVMJEWVLZLBJRO-JMDAGXMHSA-N 2 2 362.562 2.969 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000072803394 507855907 /nfs/dbraw/zinc/85/59/07/507855907.db2.gz PVMJEWVLZLBJRO-JMDAGXMHSA-N 2 2 362.562 2.969 20 30 FFEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000093301888 508136502 /nfs/dbraw/zinc/13/65/02/508136502.db2.gz IRHARMBNRYKXFG-UHFFFAOYSA-N 2 2 367.497 2.998 20 30 FFEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000081517107 508184777 /nfs/dbraw/zinc/18/47/77/508184777.db2.gz ZFQIYDRYBBKIME-KYBDOYODSA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000081517107 508184779 /nfs/dbraw/zinc/18/47/79/508184779.db2.gz ZFQIYDRYBBKIME-KYBDOYODSA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000081517107 508184781 /nfs/dbraw/zinc/18/47/81/508184781.db2.gz ZFQIYDRYBBKIME-KYBDOYODSA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000081517107 508184782 /nfs/dbraw/zinc/18/47/82/508184782.db2.gz ZFQIYDRYBBKIME-KYBDOYODSA-N 2 2 362.562 2.969 20 30 FFEDLP C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000158063945 508652311 /nfs/dbraw/zinc/65/23/11/508652311.db2.gz AJLSAIYCEOBAHW-MRXNPFEDSA-N 2 2 362.905 2.860 20 30 FFEDLP C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000158063945 508652312 /nfs/dbraw/zinc/65/23/12/508652312.db2.gz AJLSAIYCEOBAHW-MRXNPFEDSA-N 2 2 362.905 2.860 20 30 FFEDLP C[NH+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000158063945 508652314 /nfs/dbraw/zinc/65/23/14/508652314.db2.gz AJLSAIYCEOBAHW-MRXNPFEDSA-N 2 2 362.905 2.860 20 30 FFEDLP C[NH+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158063945 508652317 /nfs/dbraw/zinc/65/23/17/508652317.db2.gz AJLSAIYCEOBAHW-MRXNPFEDSA-N 2 2 362.905 2.860 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131750808 508966261 /nfs/dbraw/zinc/96/62/61/508966261.db2.gz VNPXNVZMLOYKBU-QUCCMNQESA-N 2 2 354.450 2.703 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131750808 508966263 /nfs/dbraw/zinc/96/62/63/508966263.db2.gz VNPXNVZMLOYKBU-QUCCMNQESA-N 2 2 354.450 2.703 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)cc1 ZINC000264119733 509339273 /nfs/dbraw/zinc/33/92/73/509339273.db2.gz QPPABJHMZCWBGF-QGZVFWFLSA-N 2 2 372.469 2.742 20 30 FFEDLP COCc1noc([C@@H](C)O[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000182918254 509493761 /nfs/dbraw/zinc/49/37/61/509493761.db2.gz DZNKRDXQCGUHGV-CQSZACIVSA-N 2 2 373.457 2.600 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC1 ZINC000264395777 509502885 /nfs/dbraw/zinc/50/28/85/509502885.db2.gz LCQPXNCRWHGPQT-SFHVURJKSA-N 2 2 371.460 2.598 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNC(=O)c3ccccc3)CC2)cc1 ZINC000181615026 510501115 /nfs/dbraw/zinc/50/11/15/510501115.db2.gz CGMQCSYMPYWGRB-UHFFFAOYSA-N 2 2 362.477 2.542 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246570178 510560732 /nfs/dbraw/zinc/56/07/32/510560732.db2.gz BTIGBIDKNFPKEQ-QIIPPGSGSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246570178 510560738 /nfs/dbraw/zinc/56/07/38/510560738.db2.gz BTIGBIDKNFPKEQ-QIIPPGSGSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246570178 510560744 /nfs/dbraw/zinc/56/07/44/510560744.db2.gz BTIGBIDKNFPKEQ-QIIPPGSGSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246570178 510560751 /nfs/dbraw/zinc/56/07/51/510560751.db2.gz BTIGBIDKNFPKEQ-QIIPPGSGSA-N 2 2 360.889 2.955 20 30 FFEDLP CCc1nn(C)c(OC)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181917363 510657826 /nfs/dbraw/zinc/65/78/26/510657826.db2.gz VBJFYQYUROIGAW-UHFFFAOYSA-N 2 2 367.497 2.617 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)CCC2 ZINC000330015407 510901841 /nfs/dbraw/zinc/90/18/41/510901841.db2.gz NYKAQJMGFOHMOH-HNNXBMFYSA-N 2 2 367.457 2.610 20 30 FFEDLP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000285511343 510936628 /nfs/dbraw/zinc/93/66/28/510936628.db2.gz BFJUFZRIFFNIES-TZIWHRDSSA-N 2 2 368.525 2.806 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282517144 511009610 /nfs/dbraw/zinc/00/96/10/511009610.db2.gz PEUYHGMZONGTSN-ICSRJNTNSA-N 2 2 370.541 2.885 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282517144 511009613 /nfs/dbraw/zinc/00/96/13/511009613.db2.gz PEUYHGMZONGTSN-ICSRJNTNSA-N 2 2 370.541 2.885 20 30 FFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@H]21 ZINC000279487140 511100769 /nfs/dbraw/zinc/10/07/69/511100769.db2.gz XQHHSFVTSNQDMX-AZUAARDMSA-N 2 2 364.497 2.775 20 30 FFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@H]21 ZINC000279487140 511100773 /nfs/dbraw/zinc/10/07/73/511100773.db2.gz XQHHSFVTSNQDMX-AZUAARDMSA-N 2 2 364.497 2.775 20 30 FFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@H]21 ZINC000279487140 511100777 /nfs/dbraw/zinc/10/07/77/511100777.db2.gz XQHHSFVTSNQDMX-AZUAARDMSA-N 2 2 364.497 2.775 20 30 FFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@H]21 ZINC000279487140 511100782 /nfs/dbraw/zinc/10/07/82/511100782.db2.gz XQHHSFVTSNQDMX-AZUAARDMSA-N 2 2 364.497 2.775 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292100692 511465606 /nfs/dbraw/zinc/46/56/06/511465606.db2.gz HVOHTYVIOLVRIN-DENIHFKCSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292100692 511465610 /nfs/dbraw/zinc/46/56/10/511465610.db2.gz HVOHTYVIOLVRIN-DENIHFKCSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292100692 511465615 /nfs/dbraw/zinc/46/56/15/511465615.db2.gz HVOHTYVIOLVRIN-DENIHFKCSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292100692 511465620 /nfs/dbraw/zinc/46/56/20/511465620.db2.gz HVOHTYVIOLVRIN-DENIHFKCSA-N 2 2 368.525 2.966 20 30 FFEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000365739106 511629769 /nfs/dbraw/zinc/62/97/69/511629769.db2.gz HEDYWBSTSUJUAQ-RTWAWAEBSA-N 2 2 368.525 2.747 20 30 FFEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000365739106 511629778 /nfs/dbraw/zinc/62/97/78/511629778.db2.gz HEDYWBSTSUJUAQ-RTWAWAEBSA-N 2 2 368.525 2.747 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292862092 511749189 /nfs/dbraw/zinc/74/91/89/511749189.db2.gz CMZAZVDOPGVDAO-AUUYWEPGSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292862092 511749195 /nfs/dbraw/zinc/74/91/95/511749195.db2.gz CMZAZVDOPGVDAO-AUUYWEPGSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292862092 511749200 /nfs/dbraw/zinc/74/92/00/511749200.db2.gz CMZAZVDOPGVDAO-AUUYWEPGSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292862092 511749208 /nfs/dbraw/zinc/74/92/08/511749208.db2.gz CMZAZVDOPGVDAO-AUUYWEPGSA-N 2 2 360.889 2.956 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292910665 511767757 /nfs/dbraw/zinc/76/77/57/511767757.db2.gz HHIZRQSBQHYHST-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292910665 511767761 /nfs/dbraw/zinc/76/77/61/511767761.db2.gz HHIZRQSBQHYHST-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000292910665 511767766 /nfs/dbraw/zinc/76/77/66/511767766.db2.gz HHIZRQSBQHYHST-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000292910665 511767772 /nfs/dbraw/zinc/76/77/72/511767772.db2.gz HHIZRQSBQHYHST-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312139560 511781681 /nfs/dbraw/zinc/78/16/81/511781681.db2.gz YOGAIIGDGUNMFU-RTWAWAEBSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312139560 511781685 /nfs/dbraw/zinc/78/16/85/511781685.db2.gz YOGAIIGDGUNMFU-RTWAWAEBSA-N 2 2 365.477 2.552 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)CCOc3ccc(C#N)cc3)CCC[NH+]2C)cn1 ZINC000328621657 511894534 /nfs/dbraw/zinc/89/45/34/511894534.db2.gz APRRCLLIESYEPK-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCOc3ccc(C#N)cc3)CCC[NH+]2C)cn1 ZINC000328621657 511894541 /nfs/dbraw/zinc/89/45/41/511894541.db2.gz APRRCLLIESYEPK-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CCOc3ccc(C#N)cc3)CCC[N@@H+]2C)cn1 ZINC000328621657 511894544 /nfs/dbraw/zinc/89/45/44/511894544.db2.gz APRRCLLIESYEPK-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CCOc3ccc(C#N)cc3)CCC[N@H+]2C)cn1 ZINC000328621657 511894549 /nfs/dbraw/zinc/89/45/49/511894549.db2.gz APRRCLLIESYEPK-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1C#N ZINC000281589494 511901486 /nfs/dbraw/zinc/90/14/86/511901486.db2.gz DWMJSSPIJGDJCD-LEWJYISDSA-N 2 2 365.477 2.539 20 30 FFEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1C#N ZINC000281589494 511901491 /nfs/dbraw/zinc/90/14/91/511901491.db2.gz DWMJSSPIJGDJCD-LEWJYISDSA-N 2 2 365.477 2.539 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000328878561 511943622 /nfs/dbraw/zinc/94/36/22/511943622.db2.gz UQOZGNFEQSYJNA-CABCVRRESA-N 2 2 370.501 2.632 20 30 FFEDLP C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000329100607 511983330 /nfs/dbraw/zinc/98/33/30/511983330.db2.gz ZNSAVMCATJJAPK-UHFFFAOYSA-N 2 2 371.460 2.986 20 30 FFEDLP C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329717664 512090055 /nfs/dbraw/zinc/09/00/55/512090055.db2.gz XVLZZOKMIYOTGP-JKSUJKDBSA-N 2 2 359.518 2.876 20 30 FFEDLP C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329717664 512090059 /nfs/dbraw/zinc/09/00/59/512090059.db2.gz XVLZZOKMIYOTGP-JKSUJKDBSA-N 2 2 359.518 2.876 20 30 FFEDLP C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@@H]1[NH+](C)C ZINC000329769069 512095129 /nfs/dbraw/zinc/09/51/29/512095129.db2.gz HITXYSSKZRTKJZ-HIFRSBDPSA-N 2 2 351.520 2.556 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000398013071 512952257 /nfs/dbraw/zinc/95/22/57/512952257.db2.gz DVFNTGYIKXEWJE-UIFIKXQLSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000398013071 512952259 /nfs/dbraw/zinc/95/22/59/512952259.db2.gz DVFNTGYIKXEWJE-UIFIKXQLSA-N 2 2 365.477 2.551 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC(C)(C)CCC#N)CC2)CC1 ZINC000422195149 513631644 /nfs/dbraw/zinc/63/16/44/513631644.db2.gz BLHISJRADKNTTJ-UHFFFAOYSA-N 2 2 363.550 2.518 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC(C)(C)CCC#N)CC2)CC1 ZINC000422195149 513631653 /nfs/dbraw/zinc/63/16/53/513631653.db2.gz BLHISJRADKNTTJ-UHFFFAOYSA-N 2 2 363.550 2.518 20 30 FFEDLP Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450224525 514551075 /nfs/dbraw/zinc/55/10/75/514551075.db2.gz BSCVKGUZHJRYEC-VQTJNVASSA-N 2 2 371.529 2.604 20 30 FFEDLP Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450224525 514551084 /nfs/dbraw/zinc/55/10/84/514551084.db2.gz BSCVKGUZHJRYEC-VQTJNVASSA-N 2 2 371.529 2.604 20 30 FFEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439444781 514553505 /nfs/dbraw/zinc/55/35/05/514553505.db2.gz BNIABGUFQRKBFG-UHFFFAOYSA-N 2 2 374.916 2.588 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(F)cc1C#N ZINC000511819584 516043902 /nfs/dbraw/zinc/04/39/02/516043902.db2.gz FDBCNTMUQWPIQU-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(F)cc1C#N ZINC000511819584 516043906 /nfs/dbraw/zinc/04/39/06/516043906.db2.gz FDBCNTMUQWPIQU-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512649958 516318499 /nfs/dbraw/zinc/31/84/99/516318499.db2.gz VWWMWMDKFDBYOO-HNAYVOBHSA-N 2 2 353.441 2.767 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512649958 516318501 /nfs/dbraw/zinc/31/85/01/516318501.db2.gz VWWMWMDKFDBYOO-HNAYVOBHSA-N 2 2 353.441 2.767 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000538394091 517601796 /nfs/dbraw/zinc/60/17/96/517601796.db2.gz NDZDKJPMJADYMT-GOSISDBHSA-N 2 2 366.431 2.749 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2cc(C#N)ccc2F)CC1)Cc1ccccc1 ZINC000560617326 517934970 /nfs/dbraw/zinc/93/49/70/517934970.db2.gz REEAPBPUKFLMKQ-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2cc(C#N)ccc2F)CC1)Cc1ccccc1 ZINC000560617326 517934976 /nfs/dbraw/zinc/93/49/76/517934976.db2.gz REEAPBPUKFLMKQ-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000572790826 518362850 /nfs/dbraw/zinc/36/28/50/518362850.db2.gz QGTCGDPVQFFFGT-UHFFFAOYSA-N 2 2 351.454 2.544 20 30 FFEDLP C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000567710825 518668539 /nfs/dbraw/zinc/66/85/39/518668539.db2.gz SUKIZWBSRDZSSW-XJABCFGWSA-N 2 2 367.493 2.773 20 30 FFEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000580949712 519443938 /nfs/dbraw/zinc/44/39/38/519443938.db2.gz WBRLUHPOJYJGKY-OAHLLOKOSA-N 2 2 369.494 2.661 20 30 FFEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000580949712 519443944 /nfs/dbraw/zinc/44/39/44/519443944.db2.gz WBRLUHPOJYJGKY-OAHLLOKOSA-N 2 2 369.494 2.661 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000569375353 519519191 /nfs/dbraw/zinc/51/91/91/519519191.db2.gz OKBGTQWOABDHMZ-QWHCGFSZSA-N 2 2 369.494 2.658 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000569375353 519519198 /nfs/dbraw/zinc/51/91/98/519519198.db2.gz OKBGTQWOABDHMZ-QWHCGFSZSA-N 2 2 369.494 2.658 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157793 520213050 /nfs/dbraw/zinc/21/30/50/520213050.db2.gz XDFSPHYZOSUHNI-MJGOQNOKSA-N 2 2 351.454 2.855 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157793 520213056 /nfs/dbraw/zinc/21/30/56/520213056.db2.gz XDFSPHYZOSUHNI-MJGOQNOKSA-N 2 2 351.454 2.855 20 30 FFEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@]1(O)CCCOC1 ZINC000594995877 520248043 /nfs/dbraw/zinc/24/80/43/520248043.db2.gz LGLWZFOZTMVZCQ-QFIPXVFZSA-N 2 2 371.525 2.680 20 30 FFEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(C#N)ccc1Br)CCO2 ZINC000592184362 520253279 /nfs/dbraw/zinc/25/32/79/520253279.db2.gz JGRLYDXOFZALIX-UHFFFAOYSA-N 2 2 364.287 2.617 20 30 FFEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(C#N)ccc1Br)CCO2 ZINC000592184362 520253290 /nfs/dbraw/zinc/25/32/90/520253290.db2.gz JGRLYDXOFZALIX-UHFFFAOYSA-N 2 2 364.287 2.617 20 30 FFEDLP N#C[C@@H]1CCC[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000613255769 520412530 /nfs/dbraw/zinc/41/25/30/520412530.db2.gz HHCBSTJOOSHXGQ-CVEARBPZSA-N 2 2 353.470 2.932 20 30 FFEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CCOCC1 ZINC000600713917 520414043 /nfs/dbraw/zinc/41/40/43/520414043.db2.gz GLQXLFCZSISWBR-IAGOWNOFSA-N 2 2 363.527 2.546 20 30 FFEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000595551623 520547377 /nfs/dbraw/zinc/54/73/77/520547377.db2.gz JHUAWLDGIMQTFK-NRFANRHFSA-N 2 2 373.460 2.916 20 30 FFEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@H](CC#N)c3ccccc3)c2)CC1 ZINC000601804820 520961546 /nfs/dbraw/zinc/96/15/46/520961546.db2.gz MJQZSAWSGYRQMD-SFHVURJKSA-N 2 2 363.465 2.859 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619722906 521839754 /nfs/dbraw/zinc/83/97/54/521839754.db2.gz WNUSFCQROPJHOK-WWMYMODYSA-N 2 2 371.529 2.842 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619722906 521839761 /nfs/dbraw/zinc/83/97/61/521839761.db2.gz WNUSFCQROPJHOK-WWMYMODYSA-N 2 2 371.529 2.842 20 30 FFEDLP C=C(Br)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591305 730346248 /nfs/dbraw/zinc/34/62/48/730346248.db2.gz MIUFAHDJCXNUFZ-INIZCTEOSA-N 2 2 354.292 2.895 20 30 FFEDLP C=C(Br)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591305 730346251 /nfs/dbraw/zinc/34/62/51/730346251.db2.gz MIUFAHDJCXNUFZ-INIZCTEOSA-N 2 2 354.292 2.895 20 30 FFEDLP C=C(Br)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591305 730346254 /nfs/dbraw/zinc/34/62/54/730346254.db2.gz MIUFAHDJCXNUFZ-INIZCTEOSA-N 2 2 354.292 2.895 20 30 FFEDLP C=C(Br)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591305 730346255 /nfs/dbraw/zinc/34/62/55/730346255.db2.gz MIUFAHDJCXNUFZ-INIZCTEOSA-N 2 2 354.292 2.895 20 30 FFEDLP C[C@H]1CNC(NN=C2CC[N@H+](C)[C@@H](c3ccc(Br)cc3)C2)=[NH+]1 ZINC000863105613 730750370 /nfs/dbraw/zinc/75/03/70/730750370.db2.gz VXDOGIAEPMQAEW-XHDPSFHLSA-N 2 2 364.291 2.509 20 30 FFEDLP C[C@H]1CNC(NN=C2CC[N@@H+](C)[C@@H](c3ccc(Br)cc3)C2)=[NH+]1 ZINC000863105613 730750372 /nfs/dbraw/zinc/75/03/72/730750372.db2.gz VXDOGIAEPMQAEW-XHDPSFHLSA-N 2 2 364.291 2.509 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033443140 742892697 /nfs/dbraw/zinc/89/26/97/742892697.db2.gz VJANLHXYZBZUOA-OTWHNJEPSA-N 2 2 361.917 2.617 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033443140 742892701 /nfs/dbraw/zinc/89/27/01/742892701.db2.gz VJANLHXYZBZUOA-OTWHNJEPSA-N 2 2 361.917 2.617 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033443140 742892704 /nfs/dbraw/zinc/89/27/04/742892704.db2.gz VJANLHXYZBZUOA-OTWHNJEPSA-N 2 2 361.917 2.617 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033443140 742892709 /nfs/dbraw/zinc/89/27/09/742892709.db2.gz VJANLHXYZBZUOA-OTWHNJEPSA-N 2 2 361.917 2.617 20 30 FFEDLP C[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261661316 963178686 /nfs/dbraw/zinc/17/86/86/963178686.db2.gz AUHJIPIOQHJSMD-HKUYNNGSSA-N 3 2 360.550 2.606 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087465771 964383605 /nfs/dbraw/zinc/38/36/05/964383605.db2.gz IAPNIXMTBHNRIB-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087465771 964383616 /nfs/dbraw/zinc/38/36/16/964383616.db2.gz IAPNIXMTBHNRIB-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001087465771 964383620 /nfs/dbraw/zinc/38/36/20/964383620.db2.gz IAPNIXMTBHNRIB-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001087465771 964383635 /nfs/dbraw/zinc/38/36/35/964383635.db2.gz IAPNIXMTBHNRIB-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087469322 965292849 /nfs/dbraw/zinc/29/28/49/965292849.db2.gz WIRKDWNGLMOOHA-UYAOXDASSA-N 2 2 370.472 2.950 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087469322 965292857 /nfs/dbraw/zinc/29/28/57/965292857.db2.gz WIRKDWNGLMOOHA-UYAOXDASSA-N 2 2 370.472 2.950 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087196201 965881058 /nfs/dbraw/zinc/88/10/58/965881058.db2.gz CAHSZIPFUGQMBQ-XLIONFOSSA-N 2 2 365.481 2.562 20 30 FFEDLP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001024444789 968925895 /nfs/dbraw/zinc/92/58/95/968925895.db2.gz DJWXSHIGIFYQEZ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001024444789 968925901 /nfs/dbraw/zinc/92/59/01/968925901.db2.gz DJWXSHIGIFYQEZ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@@H]2C1 ZINC001088141040 973064558 /nfs/dbraw/zinc/06/45/58/973064558.db2.gz SBFVGPDZRNDABQ-MOPGFXCFSA-N 2 2 366.509 2.932 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@@H]2C1 ZINC001088141040 973064573 /nfs/dbraw/zinc/06/45/73/973064573.db2.gz SBFVGPDZRNDABQ-MOPGFXCFSA-N 2 2 366.509 2.932 20 30 FFEDLP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262476014 973462369 /nfs/dbraw/zinc/46/23/69/973462369.db2.gz ZTFSGHSPKUSVMZ-AZUAARDMSA-N 2 2 363.509 2.847 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001087427770 975542613 /nfs/dbraw/zinc/54/26/13/975542613.db2.gz VBKWIQRJQMMIKU-NHCUHLMSSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001087427770 975542617 /nfs/dbraw/zinc/54/26/17/975542617.db2.gz VBKWIQRJQMMIKU-NHCUHLMSSA-N 2 2 367.537 2.858 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087444923 977619921 /nfs/dbraw/zinc/61/99/21/977619921.db2.gz YVUSOLZAZQFOAV-WOJBJXKFSA-N 2 2 352.482 2.824 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087444923 977619926 /nfs/dbraw/zinc/61/99/26/977619926.db2.gz YVUSOLZAZQFOAV-WOJBJXKFSA-N 2 2 352.482 2.824 20 30 FFEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001087456339 977808551 /nfs/dbraw/zinc/80/85/51/977808551.db2.gz QCRZONZFHCXIEY-VAMGGRTRSA-N 2 2 359.489 2.770 20 30 FFEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001087456339 977808560 /nfs/dbraw/zinc/80/85/60/977808560.db2.gz QCRZONZFHCXIEY-VAMGGRTRSA-N 2 2 359.489 2.770 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087456339 977808579 /nfs/dbraw/zinc/80/85/79/977808579.db2.gz QCRZONZFHCXIEY-VAMGGRTRSA-N 2 2 359.489 2.770 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087456339 977808585 /nfs/dbraw/zinc/80/85/85/977808585.db2.gz QCRZONZFHCXIEY-VAMGGRTRSA-N 2 2 359.489 2.770 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046597 979061279 /nfs/dbraw/zinc/06/12/79/979061279.db2.gz BVHWOKITGBAEDR-GHTZIAJQSA-N 2 2 371.444 2.552 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046597 979061286 /nfs/dbraw/zinc/06/12/86/979061286.db2.gz BVHWOKITGBAEDR-GHTZIAJQSA-N 2 2 371.444 2.552 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cc(F)ccc3C#N)[C@@H]2C)CC[N@@H+]1C ZINC001088578988 981292708 /nfs/dbraw/zinc/29/27/08/981292708.db2.gz HRLDSFLUJJCNQF-QRKUABHPSA-N 2 2 372.488 2.507 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cc(F)ccc3C#N)[C@@H]2C)CC[N@H+]1C ZINC001088578988 981292714 /nfs/dbraw/zinc/29/27/14/981292714.db2.gz HRLDSFLUJJCNQF-QRKUABHPSA-N 2 2 372.488 2.507 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)CC[NH+]1C ZINC001088578988 981292720 /nfs/dbraw/zinc/29/27/20/981292720.db2.gz HRLDSFLUJJCNQF-QRKUABHPSA-N 2 2 372.488 2.507 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)[C@@H]2C)CC[NH+]1C ZINC001088578988 981292724 /nfs/dbraw/zinc/29/27/24/981292724.db2.gz HRLDSFLUJJCNQF-QRKUABHPSA-N 2 2 372.488 2.507 20 30 FFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000083031507 982778035 /nfs/dbraw/zinc/77/80/35/982778035.db2.gz IVMGZBAWRPPCDO-MSOLQXFVSA-N 2 2 356.445 2.857 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561080 984699913 /nfs/dbraw/zinc/69/99/13/984699913.db2.gz CRIYTZIXFWMNIF-LZLYRXPVSA-N 2 2 350.894 2.948 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561080 984699918 /nfs/dbraw/zinc/69/99/18/984699918.db2.gz CRIYTZIXFWMNIF-LZLYRXPVSA-N 2 2 350.894 2.948 20 30 FFEDLP COc1cccc(NC(=[NH2+])NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)c1 ZINC000170906168 985172662 /nfs/dbraw/zinc/17/26/62/985172662.db2.gz ZTQTZDRQCMBCCS-KRWDZBQOSA-N 2 2 372.469 2.742 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1ccccc1 ZINC001081135185 993693195 /nfs/dbraw/zinc/69/31/95/993693195.db2.gz KKICFBVAOXYEHJ-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479302 1015999806 /nfs/dbraw/zinc/99/98/06/1015999806.db2.gz IYPBIGUQZKBECC-YSTOQKLRSA-N 2 2 368.525 2.795 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479302 1015999811 /nfs/dbraw/zinc/99/98/11/1015999811.db2.gz IYPBIGUQZKBECC-YSTOQKLRSA-N 2 2 368.525 2.795 20 30 FFEDLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110006075 1001280084 /nfs/dbraw/zinc/28/00/84/1001280084.db2.gz UKJNSURDDQAJIF-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110006075 1001280087 /nfs/dbraw/zinc/28/00/87/1001280087.db2.gz UKJNSURDDQAJIF-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001184401237 1002590779 /nfs/dbraw/zinc/59/07/79/1002590779.db2.gz IBUCNNKXIQSPRZ-SFHVURJKSA-N 2 2 361.917 2.882 20 30 FFEDLP C#C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568997 1004999196 /nfs/dbraw/zinc/99/91/96/1004999196.db2.gz UITWUPOLOCQXIR-YLJYHZDGSA-N 2 2 373.928 2.938 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001097065804 1016968968 /nfs/dbraw/zinc/96/89/68/1016968968.db2.gz FKZBMFLAWMEAPE-CGXNFDGLSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001097065804 1016968980 /nfs/dbraw/zinc/96/89/80/1016968980.db2.gz FKZBMFLAWMEAPE-CGXNFDGLSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097065804 1016968990 /nfs/dbraw/zinc/96/89/90/1016968990.db2.gz FKZBMFLAWMEAPE-CGXNFDGLSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097065804 1016968999 /nfs/dbraw/zinc/96/89/99/1016968999.db2.gz FKZBMFLAWMEAPE-CGXNFDGLSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856597692 1007907188 /nfs/dbraw/zinc/90/71/88/1007907188.db2.gz KVCKJRMXGBVMRA-YLJYHZDGSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856597692 1007907191 /nfs/dbraw/zinc/90/71/91/1007907191.db2.gz KVCKJRMXGBVMRA-YLJYHZDGSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856597692 1007907197 /nfs/dbraw/zinc/90/71/97/1007907197.db2.gz KVCKJRMXGBVMRA-YLJYHZDGSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856597692 1007907201 /nfs/dbraw/zinc/90/72/01/1007907201.db2.gz KVCKJRMXGBVMRA-YLJYHZDGSA-N 2 2 355.486 2.818 20 30 FFEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC001094416049 1011101775 /nfs/dbraw/zinc/10/17/75/1011101775.db2.gz AYECYLGRQMQBMJ-WIYYLYMNSA-N 2 2 350.466 2.640 20 30 FFEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC001094416049 1011101781 /nfs/dbraw/zinc/10/17/81/1011101781.db2.gz AYECYLGRQMQBMJ-WIYYLYMNSA-N 2 2 350.466 2.640 20 30 FFEDLP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001172590460 1011901314 /nfs/dbraw/zinc/90/13/14/1011901314.db2.gz CVOLAHQCVYOISQ-QUCCMNQESA-N 2 2 355.482 2.844 20 30 FFEDLP CC1CC[NH+](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172968987 1012137709 /nfs/dbraw/zinc/13/77/09/1012137709.db2.gz UTAHSBDDGJKKLB-IRXDYDNUSA-N 2 2 350.507 2.600 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1CC ZINC001097247967 1017247029 /nfs/dbraw/zinc/24/70/29/1017247029.db2.gz PCYXCQIKVFAWFY-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1CC ZINC001097247967 1017247037 /nfs/dbraw/zinc/24/70/37/1017247037.db2.gz PCYXCQIKVFAWFY-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1CC ZINC001097247967 1017247044 /nfs/dbraw/zinc/24/70/44/1017247044.db2.gz PCYXCQIKVFAWFY-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1CC ZINC001097247967 1017247058 /nfs/dbraw/zinc/24/70/58/1017247058.db2.gz PCYXCQIKVFAWFY-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000924786117 1017481297 /nfs/dbraw/zinc/48/12/97/1017481297.db2.gz APTZDZHTNFXEJB-SJORKVTESA-N 2 2 364.534 2.990 20 30 FFEDLP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000924786117 1017481301 /nfs/dbraw/zinc/48/13/01/1017481301.db2.gz APTZDZHTNFXEJB-SJORKVTESA-N 2 2 364.534 2.990 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC1 ZINC001096234504 1019513708 /nfs/dbraw/zinc/51/37/08/1019513708.db2.gz SMTUMSXNLXZPQF-HKBOAZHASA-N 2 2 366.509 2.512 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)CC1 ZINC001096234504 1019513721 /nfs/dbraw/zinc/51/37/21/1019513721.db2.gz SMTUMSXNLXZPQF-HKBOAZHASA-N 2 2 366.509 2.512 20 30 FFEDLP C#CCOc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000779225760 1023388764 /nfs/dbraw/zinc/38/87/64/1023388764.db2.gz WIPQEAOBAUUMPU-QHCPKHFHSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000779225760 1023388769 /nfs/dbraw/zinc/38/87/69/1023388769.db2.gz WIPQEAOBAUUMPU-QHCPKHFHSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779225760 1023388776 /nfs/dbraw/zinc/38/87/76/1023388776.db2.gz WIPQEAOBAUUMPU-QHCPKHFHSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000779225760 1023388781 /nfs/dbraw/zinc/38/87/81/1023388781.db2.gz WIPQEAOBAUUMPU-QHCPKHFHSA-N 2 2 364.489 2.767 20 30 FFEDLP CN(C(=O)C#Cc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755216020 1023579370 /nfs/dbraw/zinc/57/93/70/1023579370.db2.gz ZDXIQTAHUCWNMP-FGZHOGPDSA-N 2 2 367.537 2.834 20 30 FFEDLP CN(C(=O)C#Cc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755216020 1023579374 /nfs/dbraw/zinc/57/93/74/1023579374.db2.gz ZDXIQTAHUCWNMP-FGZHOGPDSA-N 2 2 367.537 2.834 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001121519406 1023823501 /nfs/dbraw/zinc/82/35/01/1023823501.db2.gz OKBKISHSDHELMT-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001101244223 1024173416 /nfs/dbraw/zinc/17/34/16/1024173416.db2.gz CWWZDLPIGRUFQS-HMFYCAOWSA-N 2 2 370.541 2.897 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001101244223 1024173421 /nfs/dbraw/zinc/17/34/21/1024173421.db2.gz CWWZDLPIGRUFQS-HMFYCAOWSA-N 2 2 370.541 2.897 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157746338 1029654894 /nfs/dbraw/zinc/65/48/94/1029654894.db2.gz QBGBYPLEVQDSHJ-PZJWPPBQSA-N 2 2 372.488 2.592 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157746338 1029654897 /nfs/dbraw/zinc/65/48/97/1029654897.db2.gz QBGBYPLEVQDSHJ-PZJWPPBQSA-N 2 2 372.488 2.592 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001205326015 1031671950 /nfs/dbraw/zinc/67/19/50/1031671950.db2.gz MCUDXZPKXZGFTL-VQTJNVASSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cccc(F)c1 ZINC001205452592 1031757845 /nfs/dbraw/zinc/75/78/45/1031757845.db2.gz JLYSIAALJOMURD-AZUAARDMSA-N 2 2 370.472 2.950 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001221655888 1034953539 /nfs/dbraw/zinc/95/35/39/1034953539.db2.gz AYFKMYFRGNDQNZ-WSTZPKSXSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001221655888 1034953544 /nfs/dbraw/zinc/95/35/44/1034953544.db2.gz AYFKMYFRGNDQNZ-WSTZPKSXSA-N 2 2 356.514 2.725 20 30 FFEDLP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043121 1036284801 /nfs/dbraw/zinc/28/48/01/1036284801.db2.gz FBGBPTBIKFYBMH-IBGZPJMESA-N 2 2 365.481 2.537 20 30 FFEDLP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043121 1036284819 /nfs/dbraw/zinc/28/48/19/1036284819.db2.gz FBGBPTBIKFYBMH-IBGZPJMESA-N 2 2 365.481 2.537 20 30 FFEDLP C=CCC[C@H](O)C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001252598448 1039609446 /nfs/dbraw/zinc/60/94/46/1039609446.db2.gz OCCAZXFXVWYYMK-IBGZPJMESA-N 2 2 355.482 2.992 20 30 FFEDLP C=CCC[C@H](O)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001252598448 1039609455 /nfs/dbraw/zinc/60/94/55/1039609455.db2.gz OCCAZXFXVWYYMK-IBGZPJMESA-N 2 2 355.482 2.992 20 30 FFEDLP C=CCC[C@H](O)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001252598448 1039609459 /nfs/dbraw/zinc/60/94/59/1039609459.db2.gz OCCAZXFXVWYYMK-IBGZPJMESA-N 2 2 355.482 2.992 20 30 FFEDLP C=CCC[C@H](O)C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001252598448 1039609465 /nfs/dbraw/zinc/60/94/65/1039609465.db2.gz OCCAZXFXVWYYMK-IBGZPJMESA-N 2 2 355.482 2.992 20 30 FFEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001279311992 1042995386 /nfs/dbraw/zinc/99/53/86/1042995386.db2.gz GVVCIYIMNYFYBM-HXUWFJFHSA-N 2 2 362.468 2.686 20 30 FFEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001279311992 1042995389 /nfs/dbraw/zinc/99/53/89/1042995389.db2.gz GVVCIYIMNYFYBM-HXUWFJFHSA-N 2 2 362.468 2.686 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCCOC2)C3)cc1C#N ZINC001279617614 1043347218 /nfs/dbraw/zinc/34/72/18/1043347218.db2.gz CUFBGDJIKOMTOO-WIYYLYMNSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCCOC2)C3)cc1C#N ZINC001279617614 1043347228 /nfs/dbraw/zinc/34/72/28/1043347228.db2.gz CUFBGDJIKOMTOO-WIYYLYMNSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@H]2CCCOC2)C3)cc1C#N ZINC001279617614 1043347238 /nfs/dbraw/zinc/34/72/38/1043347238.db2.gz CUFBGDJIKOMTOO-WIYYLYMNSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C[C@H]2CCCOC2)C3)cc1C#N ZINC001279617614 1043347248 /nfs/dbraw/zinc/34/72/48/1043347248.db2.gz CUFBGDJIKOMTOO-WIYYLYMNSA-N 2 2 356.514 2.611 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339528328 1043467600 /nfs/dbraw/zinc/46/76/00/1043467600.db2.gz IVBIIBKYCRDIME-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339528328 1043467603 /nfs/dbraw/zinc/46/76/03/1043467603.db2.gz IVBIIBKYCRDIME-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP N#Cc1cc(N2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)ccc1F ZINC001279772511 1043618467 /nfs/dbraw/zinc/61/84/67/1043618467.db2.gz SHJOLSYNOZGHLA-CALCHBBNSA-N 2 2 353.445 2.742 20 30 FFEDLP N#Cc1cc(N2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)ccc1F ZINC001279772511 1043618474 /nfs/dbraw/zinc/61/84/74/1043618474.db2.gz SHJOLSYNOZGHLA-CALCHBBNSA-N 2 2 353.445 2.742 20 30 FFEDLP CCc1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)ccc1C#N ZINC001238768862 1043882278 /nfs/dbraw/zinc/88/22/78/1043882278.db2.gz NIUJKERUHJXGBT-HXUWFJFHSA-N 2 2 369.509 2.970 20 30 FFEDLP CCc1cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)ccc1C#N ZINC001238768862 1043882294 /nfs/dbraw/zinc/88/22/94/1043882294.db2.gz NIUJKERUHJXGBT-HXUWFJFHSA-N 2 2 369.509 2.970 20 30 FFEDLP N#Cc1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240345252 1044318459 /nfs/dbraw/zinc/31/84/59/1044318459.db2.gz DQCDVVHBZBZHCE-UHFFFAOYSA-N 2 2 363.461 2.623 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001316719978 1044829648 /nfs/dbraw/zinc/82/96/48/1044829648.db2.gz BGLDHXSVJHVYNP-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001316719978 1044829671 /nfs/dbraw/zinc/82/96/71/1044829671.db2.gz BGLDHXSVJHVYNP-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP C[C@H](COc1ccccc1)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324648446 1046145990 /nfs/dbraw/zinc/14/59/90/1046145990.db2.gz KFZIEEOTEZYPEI-QGZVFWFLSA-N 2 2 370.472 2.969 20 30 FFEDLP C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336940756 1054354667 /nfs/dbraw/zinc/35/46/67/1054354667.db2.gz GPTZWUGIIWBXNV-UHFFFAOYSA-N 2 2 356.923 2.522 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001515995629 1059922135 /nfs/dbraw/zinc/92/21/35/1059922135.db2.gz BYWGGFSQZAOOQA-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001515995629 1059922156 /nfs/dbraw/zinc/92/21/56/1059922156.db2.gz BYWGGFSQZAOOQA-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)C1 ZINC001471832887 1064813695 /nfs/dbraw/zinc/81/36/95/1064813695.db2.gz LCQCPCLXNBMSSY-RTWAWAEBSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)C1 ZINC001471832887 1064813698 /nfs/dbraw/zinc/81/36/98/1064813698.db2.gz LCQCPCLXNBMSSY-RTWAWAEBSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(C)c2)C1 ZINC001471832887 1064813704 /nfs/dbraw/zinc/81/37/04/1064813704.db2.gz LCQCPCLXNBMSSY-RTWAWAEBSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(C)c2)C1 ZINC001471832887 1064813713 /nfs/dbraw/zinc/81/37/13/1064813713.db2.gz LCQCPCLXNBMSSY-RTWAWAEBSA-N 2 2 353.510 2.563 20 30 FFEDLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC001578186782 1078448618 /nfs/dbraw/zinc/44/86/18/1078448618.db2.gz FNMXJBMHDUGXNJ-FDFHNCONSA-N 2 2 365.477 2.726 20 30 FFEDLP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001568120883 1077072729 /nfs/dbraw/zinc/07/27/29/1077072729.db2.gz FYIPHVBSJQHNCD-RTBURBONSA-N 2 2 352.482 2.896 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cn2ccccc2[nH+]1)C(C)C ZINC000043476467 506746997 /nfs/dbraw/zinc/74/69/97/506746997.db2.gz KCKOJIAPJNKVBI-SFHVURJKSA-N 2 2 355.486 2.832 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000115543667 508407227 /nfs/dbraw/zinc/40/72/27/508407227.db2.gz WWKVVABPPWTFHZ-LJQANCHMSA-N 2 2 359.433 2.841 20 30 FFEDLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595862 508415500 /nfs/dbraw/zinc/41/55/00/508415500.db2.gz DQNCKZOASALGBE-FQEVSTJZSA-N 2 2 350.466 2.716 20 30 FFEDLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115596965 508416674 /nfs/dbraw/zinc/41/66/74/508416674.db2.gz BTZAKQWSJZGFER-FQEVSTJZSA-N 2 2 350.466 2.715 20 30 FFEDLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115596965 508416678 /nfs/dbraw/zinc/41/66/78/508416678.db2.gz BTZAKQWSJZGFER-FQEVSTJZSA-N 2 2 350.466 2.715 20 30 FFEDLP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115596967 508416727 /nfs/dbraw/zinc/41/67/27/508416727.db2.gz BTZAKQWSJZGFER-HXUWFJFHSA-N 2 2 350.466 2.715 20 30 FFEDLP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115596967 508416732 /nfs/dbraw/zinc/41/67/32/508416732.db2.gz BTZAKQWSJZGFER-HXUWFJFHSA-N 2 2 350.466 2.715 20 30 FFEDLP CN(C(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124702205 508871506 /nfs/dbraw/zinc/87/15/06/508871506.db2.gz PSQSWTQVIKRIRH-SFTDATJTSA-N 2 2 368.525 2.967 20 30 FFEDLP CN(C(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124702205 508871508 /nfs/dbraw/zinc/87/15/08/508871508.db2.gz PSQSWTQVIKRIRH-SFTDATJTSA-N 2 2 368.525 2.967 20 30 FFEDLP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1C#N ZINC000375621229 512424665 /nfs/dbraw/zinc/42/46/65/512424665.db2.gz QHNHAJRXERGOKA-UHFFFAOYSA-N 2 2 354.498 2.547 20 30 FFEDLP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000126058562 509059016 /nfs/dbraw/zinc/05/90/16/509059016.db2.gz YIVLHEOUFFHBHJ-UHFFFAOYSA-N 3 2 369.557 2.685 20 30 FFEDLP Cc1c(C#N)cccc1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179354706 509396400 /nfs/dbraw/zinc/39/64/00/509396400.db2.gz SBTOPBCWGMOLMS-DFNIBXOVSA-N 2 2 367.497 2.641 20 30 FFEDLP Cc1c(C#N)cccc1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179354706 509396404 /nfs/dbraw/zinc/39/64/04/509396404.db2.gz SBTOPBCWGMOLMS-DFNIBXOVSA-N 2 2 367.497 2.641 20 30 FFEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000182811114 509437538 /nfs/dbraw/zinc/43/75/38/509437538.db2.gz AJUJZSJAIWRJSZ-CTNGQTDRSA-N 2 2 366.509 2.861 20 30 FFEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000182811114 509437540 /nfs/dbraw/zinc/43/75/40/509437540.db2.gz AJUJZSJAIWRJSZ-CTNGQTDRSA-N 2 2 366.509 2.861 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)c(OC)c1 ZINC000264493082 509561819 /nfs/dbraw/zinc/56/18/19/509561819.db2.gz TWVIHZQOXJHRLS-IBGZPJMESA-N 2 2 362.514 2.626 20 30 FFEDLP C=CCC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000180040148 509720306 /nfs/dbraw/zinc/72/03/06/509720306.db2.gz QWFLLVJDICESGD-LJQANCHMSA-N 2 2 359.514 2.511 20 30 FFEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245438771 509932714 /nfs/dbraw/zinc/93/27/14/509932714.db2.gz FMZHSJKXYUJGMA-IAGOWNOFSA-N 2 2 360.477 2.734 20 30 FFEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245438771 509932720 /nfs/dbraw/zinc/93/27/20/509932720.db2.gz FMZHSJKXYUJGMA-IAGOWNOFSA-N 2 2 360.477 2.734 20 30 FFEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245438771 509932728 /nfs/dbraw/zinc/93/27/28/509932728.db2.gz FMZHSJKXYUJGMA-IAGOWNOFSA-N 2 2 360.477 2.734 20 30 FFEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245438771 509932740 /nfs/dbraw/zinc/93/27/40/509932740.db2.gz FMZHSJKXYUJGMA-IAGOWNOFSA-N 2 2 360.477 2.734 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N[C@H]1CCc2ccccc2C1 ZINC000262286535 510231561 /nfs/dbraw/zinc/23/15/61/510231561.db2.gz XSWCEEQOAODMTL-FQEVSTJZSA-N 2 2 374.492 2.798 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000181522432 510451333 /nfs/dbraw/zinc/45/13/33/510451333.db2.gz YQCQFIVMTCUPAR-UHFFFAOYSA-N 2 2 355.482 2.798 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246421774 510482864 /nfs/dbraw/zinc/48/28/64/510482864.db2.gz TXWQVQIPHBUCDP-OALUTQOASA-N 2 2 356.514 2.822 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246421774 510482869 /nfs/dbraw/zinc/48/28/69/510482869.db2.gz TXWQVQIPHBUCDP-OALUTQOASA-N 2 2 356.514 2.822 20 30 FFEDLP COc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000188303852 510698805 /nfs/dbraw/zinc/69/88/05/510698805.db2.gz VVBAPPLVPWROCY-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000188303852 510698811 /nfs/dbraw/zinc/69/88/11/510698811.db2.gz VVBAPPLVPWROCY-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000188303852 510698815 /nfs/dbraw/zinc/69/88/15/510698815.db2.gz VVBAPPLVPWROCY-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000188303852 510698819 /nfs/dbraw/zinc/69/88/19/510698819.db2.gz VVBAPPLVPWROCY-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330256968 510949675 /nfs/dbraw/zinc/94/96/75/510949675.db2.gz LCBJJNGKDVXDIT-OWCLPIDISA-N 2 2 370.453 2.774 20 30 FFEDLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330256968 510949681 /nfs/dbraw/zinc/94/96/81/510949681.db2.gz LCBJJNGKDVXDIT-OWCLPIDISA-N 2 2 370.453 2.774 20 30 FFEDLP CO[C@@H]1CC[N@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@H](C)C1 ZINC000330274692 510953384 /nfs/dbraw/zinc/95/33/84/510953384.db2.gz KNBRGXJHUCPKTL-UKRRQHHQSA-N 2 2 352.504 2.826 20 30 FFEDLP CO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@H](C)C1 ZINC000330274692 510953389 /nfs/dbraw/zinc/95/33/89/510953389.db2.gz KNBRGXJHUCPKTL-UKRRQHHQSA-N 2 2 352.504 2.826 20 30 FFEDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)CC1 ZINC000270895840 511017908 /nfs/dbraw/zinc/01/79/08/511017908.db2.gz LYBLXVIRURKNOK-UHFFFAOYSA-N 2 2 365.525 2.801 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279774089 511209901 /nfs/dbraw/zinc/20/99/01/511209901.db2.gz BIRZRCGBYLSSCO-UHFFFAOYSA-N 2 2 356.514 2.586 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279774089 511209906 /nfs/dbraw/zinc/20/99/06/511209906.db2.gz BIRZRCGBYLSSCO-UHFFFAOYSA-N 2 2 356.514 2.586 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656676 511212078 /nfs/dbraw/zinc/21/20/78/511212078.db2.gz RSNKTSZNRUQDAI-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656676 511212082 /nfs/dbraw/zinc/21/20/82/511212082.db2.gz RSNKTSZNRUQDAI-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656676 511212088 /nfs/dbraw/zinc/21/20/88/511212088.db2.gz RSNKTSZNRUQDAI-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656676 511212091 /nfs/dbraw/zinc/21/20/91/511212091.db2.gz RSNKTSZNRUQDAI-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656671 511212108 /nfs/dbraw/zinc/21/21/08/511212108.db2.gz RSNKTSZNRUQDAI-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656671 511212114 /nfs/dbraw/zinc/21/21/14/511212114.db2.gz RSNKTSZNRUQDAI-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656671 511212118 /nfs/dbraw/zinc/21/21/18/511212118.db2.gz RSNKTSZNRUQDAI-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656671 511212123 /nfs/dbraw/zinc/21/21/23/511212123.db2.gz RSNKTSZNRUQDAI-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000271913457 511369219 /nfs/dbraw/zinc/36/92/19/511369219.db2.gz YGTJQEFCRGWUHJ-CTNGQTDRSA-N 2 2 368.525 2.759 20 30 FFEDLP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000334058802 511443089 /nfs/dbraw/zinc/44/30/89/511443089.db2.gz XKDTVFANSFQJSE-UHFFFAOYSA-N 2 2 372.538 2.997 20 30 FFEDLP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2 ZINC000334058802 511443092 /nfs/dbraw/zinc/44/30/92/511443092.db2.gz XKDTVFANSFQJSE-UHFFFAOYSA-N 2 2 372.538 2.997 20 30 FFEDLP Cc1csc(NC(=O)CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000328603418 511890269 /nfs/dbraw/zinc/89/02/69/511890269.db2.gz HTFZREMEHLTXFV-UHFFFAOYSA-N 2 2 365.547 2.530 20 30 FFEDLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328660071 511911646 /nfs/dbraw/zinc/91/16/46/511911646.db2.gz URZXXFPVVTZWFJ-RYRKJORJSA-N 2 2 360.502 2.923 20 30 FFEDLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328660071 511911654 /nfs/dbraw/zinc/91/16/54/511911654.db2.gz URZXXFPVVTZWFJ-RYRKJORJSA-N 2 2 360.502 2.923 20 30 FFEDLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C1CC[NH+](Cc3nccn3C)CC1)CCC2 ZINC000328777433 511930701 /nfs/dbraw/zinc/93/07/01/511930701.db2.gz IKGCUEVURGCSOD-QGZVFWFLSA-N 2 2 370.501 2.671 20 30 FFEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000328824378 511937307 /nfs/dbraw/zinc/93/73/07/511937307.db2.gz GZRPOLRQWUDQOK-GOSISDBHSA-N 2 2 353.470 2.576 20 30 FFEDLP CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329425863 512045214 /nfs/dbraw/zinc/04/52/14/512045214.db2.gz IQRRXXDXEVGZNV-VPSFDDGASA-N 2 2 373.545 2.966 20 30 FFEDLP CN(C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329425863 512045217 /nfs/dbraw/zinc/04/52/17/512045217.db2.gz IQRRXXDXEVGZNV-VPSFDDGASA-N 2 2 373.545 2.966 20 30 FFEDLP CC[C@@H]1C[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329693149 512087250 /nfs/dbraw/zinc/08/72/50/512087250.db2.gz WRFPBUURPSTTPE-LSDHHAIUSA-N 2 2 350.507 2.647 20 30 FFEDLP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 ZINC000368074761 512790865 /nfs/dbraw/zinc/79/08/65/512790865.db2.gz WKWVIFQISQKCAC-WMZOPIPTSA-N 2 2 354.479 2.983 20 30 FFEDLP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 ZINC000368074761 512790870 /nfs/dbraw/zinc/79/08/70/512790870.db2.gz WKWVIFQISQKCAC-WMZOPIPTSA-N 2 2 354.479 2.983 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(C)C ZINC000372282763 512794818 /nfs/dbraw/zinc/79/48/18/512794818.db2.gz SSLGLIKPDDKFSK-ROUUACIJSA-N 2 2 359.518 2.618 20 30 FFEDLP C=CCn1c(CCCC)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421267797 513189624 /nfs/dbraw/zinc/18/96/24/513189624.db2.gz WVGWUFCFZPJJQZ-UHFFFAOYSA-N 2 2 374.577 2.803 20 30 FFEDLP C=CCn1c(CCCC)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421267797 513189626 /nfs/dbraw/zinc/18/96/26/513189626.db2.gz WVGWUFCFZPJJQZ-UHFFFAOYSA-N 2 2 374.577 2.803 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC000421367745 513237830 /nfs/dbraw/zinc/23/78/30/513237830.db2.gz UEGQWPQRBTZEGX-CTNGQTDRSA-N 2 2 353.441 2.670 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC000421367745 513237831 /nfs/dbraw/zinc/23/78/31/513237831.db2.gz UEGQWPQRBTZEGX-CTNGQTDRSA-N 2 2 353.441 2.670 20 30 FFEDLP C=CCCC[C@H](C)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422190251 513626999 /nfs/dbraw/zinc/62/69/99/513626999.db2.gz WQXIRWQAQFVDEN-SFHVURJKSA-N 2 2 350.551 2.933 20 30 FFEDLP C=CCCC[C@H](C)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422190251 513627000 /nfs/dbraw/zinc/62/70/00/513627000.db2.gz WQXIRWQAQFVDEN-SFHVURJKSA-N 2 2 350.551 2.933 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525423 513807932 /nfs/dbraw/zinc/80/79/32/513807932.db2.gz GBENVIJJGZDXQK-NQIIRXRSSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525423 513807940 /nfs/dbraw/zinc/80/79/40/513807940.db2.gz GBENVIJJGZDXQK-NQIIRXRSSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525423 513807947 /nfs/dbraw/zinc/80/79/47/513807947.db2.gz GBENVIJJGZDXQK-NQIIRXRSSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525423 513807955 /nfs/dbraw/zinc/80/79/55/513807955.db2.gz GBENVIJJGZDXQK-NQIIRXRSSA-N 2 2 368.525 2.885 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431616870 513945301 /nfs/dbraw/zinc/94/53/01/513945301.db2.gz JXONTOLOKFXPSA-PXNSSMCTSA-N 2 2 364.449 2.870 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431616870 513945313 /nfs/dbraw/zinc/94/53/13/513945313.db2.gz JXONTOLOKFXPSA-PXNSSMCTSA-N 2 2 364.449 2.870 20 30 FFEDLP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000414308085 514043035 /nfs/dbraw/zinc/04/30/35/514043035.db2.gz SHNJFDCQMLOMBS-QFIPXVFZSA-N 2 2 357.542 2.560 20 30 FFEDLP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000414308085 514043043 /nfs/dbraw/zinc/04/30/43/514043043.db2.gz SHNJFDCQMLOMBS-QFIPXVFZSA-N 2 2 357.542 2.560 20 30 FFEDLP COc1cc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1C#N ZINC000414738597 514265357 /nfs/dbraw/zinc/26/53/57/514265357.db2.gz YSTMFJCSZALLEK-MRXNPFEDSA-N 2 2 356.495 2.944 20 30 FFEDLP COc1cc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)ccc1C#N ZINC000414738597 514265362 /nfs/dbraw/zinc/26/53/62/514265362.db2.gz YSTMFJCSZALLEK-MRXNPFEDSA-N 2 2 356.495 2.944 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)C(=O)NCC4)CC2)cc1 ZINC000541741018 517195631 /nfs/dbraw/zinc/19/56/31/517195631.db2.gz NWJBXBZKNLJDIO-UHFFFAOYSA-N 2 2 374.488 2.598 20 30 FFEDLP N#Cc1ccc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cc1 ZINC000533211158 517346153 /nfs/dbraw/zinc/34/61/53/517346153.db2.gz IQZZCQXPPQYMSP-UHFFFAOYSA-N 2 2 361.449 2.921 20 30 FFEDLP CC(C)(C)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000563623000 518031587 /nfs/dbraw/zinc/03/15/87/518031587.db2.gz IIWLDIVXYRYQEQ-LJQANCHMSA-N 2 2 354.498 2.512 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472687 518358503 /nfs/dbraw/zinc/35/85/03/518358503.db2.gz AOWZJYJAZPFMOT-SJORKVTESA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472687 518358509 /nfs/dbraw/zinc/35/85/09/518358509.db2.gz AOWZJYJAZPFMOT-SJORKVTESA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472687 518358512 /nfs/dbraw/zinc/35/85/12/518358512.db2.gz AOWZJYJAZPFMOT-SJORKVTESA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472687 518358518 /nfs/dbraw/zinc/35/85/18/518358518.db2.gz AOWZJYJAZPFMOT-SJORKVTESA-N 2 2 374.554 2.761 20 30 FFEDLP CC(C)[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@@H+]1CCc2ccccc2C1 ZINC000573090459 518503971 /nfs/dbraw/zinc/50/39/71/518503971.db2.gz JBROHNVEJSSVDJ-OAQYLSRUSA-N 2 2 374.492 2.773 20 30 FFEDLP CC(C)[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@H+]1CCc2ccccc2C1 ZINC000573090459 518503977 /nfs/dbraw/zinc/50/39/77/518503977.db2.gz JBROHNVEJSSVDJ-OAQYLSRUSA-N 2 2 374.492 2.773 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000576491340 518619292 /nfs/dbraw/zinc/61/92/92/518619292.db2.gz YDESUVLNQSCWNU-WMZOPIPTSA-N 2 2 367.497 2.817 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000573365847 518632120 /nfs/dbraw/zinc/63/21/20/518632120.db2.gz AKPBCCCTOIUEHX-KRWDZBQOSA-N 2 2 361.453 2.582 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000573365847 518632124 /nfs/dbraw/zinc/63/21/24/518632124.db2.gz AKPBCCCTOIUEHX-KRWDZBQOSA-N 2 2 361.453 2.582 20 30 FFEDLP Cc1ccc([C@@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)[NH+](C)C)cc1 ZINC000582355335 518713404 /nfs/dbraw/zinc/71/34/04/518713404.db2.gz HFZXLVZXYBOQRZ-IFMALSPDSA-N 2 2 367.493 2.693 20 30 FFEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2)CC1 ZINC000565628272 519049508 /nfs/dbraw/zinc/04/95/08/519049508.db2.gz YXKPMCCFXKMVKP-QFIPXVFZSA-N 2 2 374.488 2.723 20 30 FFEDLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nncn1C ZINC000580378520 519141919 /nfs/dbraw/zinc/14/19/19/519141919.db2.gz OSCXIZLWGJEBAP-IBGZPJMESA-N 2 2 352.486 2.638 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000571689849 519221980 /nfs/dbraw/zinc/22/19/80/519221980.db2.gz UJBHUJCPLSQFLU-RTWAWAEBSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000571689849 519221987 /nfs/dbraw/zinc/22/19/87/519221987.db2.gz UJBHUJCPLSQFLU-RTWAWAEBSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000571689849 519221993 /nfs/dbraw/zinc/22/19/93/519221993.db2.gz UJBHUJCPLSQFLU-RTWAWAEBSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000571689849 519222000 /nfs/dbraw/zinc/22/20/00/519222000.db2.gz UJBHUJCPLSQFLU-RTWAWAEBSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1c(NC(=O)CC[N@@H+]2CCn3c[nH+]cc3C2)sc2c1CCCCC2 ZINC000590599143 519283490 /nfs/dbraw/zinc/28/34/90/519283490.db2.gz JHTNFWQZIMGPHQ-UHFFFAOYSA-N 2 2 369.494 2.930 20 30 FFEDLP N#Cc1c(NC(=O)CC[N@H+]2CCn3c[nH+]cc3C2)sc2c1CCCCC2 ZINC000590599143 519283495 /nfs/dbraw/zinc/28/34/95/519283495.db2.gz JHTNFWQZIMGPHQ-UHFFFAOYSA-N 2 2 369.494 2.930 20 30 FFEDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000566417216 519481099 /nfs/dbraw/zinc/48/10/99/519481099.db2.gz WKFFHQCMQIMORK-VGOFRKELSA-N 2 2 367.493 2.815 20 30 FFEDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000566417216 519481106 /nfs/dbraw/zinc/48/11/06/519481106.db2.gz WKFFHQCMQIMORK-VGOFRKELSA-N 2 2 367.493 2.815 20 30 FFEDLP C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000600736110 520435740 /nfs/dbraw/zinc/43/57/40/520435740.db2.gz QKODQHASDBLQQU-LRQRDZAKSA-N 2 2 353.466 2.579 20 30 FFEDLP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOCC1 ZINC000593725511 521177489 /nfs/dbraw/zinc/17/74/89/521177489.db2.gz NOWXVEHIZOEKET-KRWDZBQOSA-N 2 2 357.498 2.696 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]ccc5ccc(C#N)cc54)C[C@H]3C2)cn1 ZINC001164769930 721112055 /nfs/dbraw/zinc/11/20/55/721112055.db2.gz QHKWYBPTYMIMGD-VQTJNVASSA-N 2 2 372.476 2.798 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]ccc5ccc(C#N)cc54)C[C@H]3C2)cn1 ZINC001164769930 721112060 /nfs/dbraw/zinc/11/20/60/721112060.db2.gz QHKWYBPTYMIMGD-VQTJNVASSA-N 2 2 372.476 2.798 20 30 FFEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCS[C@H](C(C)C)C1 ZINC000153770717 728788142 /nfs/dbraw/zinc/78/81/42/728788142.db2.gz ZEXRHECEFPAKHF-KRWDZBQOSA-N 2 2 363.575 2.801 20 30 FFEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000876897437 732294130 /nfs/dbraw/zinc/29/41/30/732294130.db2.gz SKYXPKPEGDVFMI-UHFFFAOYSA-N 2 2 356.857 2.729 20 30 FFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028151444 742787949 /nfs/dbraw/zinc/78/79/49/742787949.db2.gz DGJKVVCCFHBCOP-OTWHNJEPSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028151444 742787951 /nfs/dbraw/zinc/78/79/51/742787951.db2.gz DGJKVVCCFHBCOP-OTWHNJEPSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151444 742787954 /nfs/dbraw/zinc/78/79/54/742787954.db2.gz DGJKVVCCFHBCOP-OTWHNJEPSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151444 742787955 /nfs/dbraw/zinc/78/79/55/742787955.db2.gz DGJKVVCCFHBCOP-OTWHNJEPSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982516 971456492 /nfs/dbraw/zinc/45/64/92/971456492.db2.gz KFZUTXIPWKBATD-ZBFHGGJFSA-N 2 2 367.946 2.956 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@@H]2C1 ZINC001087982516 971456499 /nfs/dbraw/zinc/45/64/99/971456499.db2.gz KFZUTXIPWKBATD-ZBFHGGJFSA-N 2 2 367.946 2.956 20 30 FFEDLP CC(C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCOCC1 ZINC000160635257 963182773 /nfs/dbraw/zinc/18/27/73/963182773.db2.gz YDLUUMKFDUYQFC-AWEZNQCLSA-N 2 2 374.407 2.669 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[NH+]2CCCCCC2)CC1=O ZINC000121465659 964418334 /nfs/dbraw/zinc/41/83/34/964418334.db2.gz SBHHDAATPXSHHM-UHFFFAOYSA-N 2 2 367.497 2.522 20 30 FFEDLP C=C(C)C[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001267097747 966300528 /nfs/dbraw/zinc/30/05/28/966300528.db2.gz PQZKOXHEGNNFLN-RTBURBONSA-N 2 2 352.482 2.548 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001104452671 967326548 /nfs/dbraw/zinc/32/65/48/967326548.db2.gz PYUCLHKJDUIKDY-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001104452671 967326557 /nfs/dbraw/zinc/32/65/57/967326557.db2.gz PYUCLHKJDUIKDY-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176976713 1013819646 /nfs/dbraw/zinc/81/96/46/1013819646.db2.gz FTPJDEKVXIQEDS-BQIYRTECSA-N 2 2 371.529 2.919 20 30 FFEDLP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001024445019 968925643 /nfs/dbraw/zinc/92/56/43/968925643.db2.gz GENYJKPTGPTWKT-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001024445019 968925657 /nfs/dbraw/zinc/92/56/57/968925657.db2.gz GENYJKPTGPTWKT-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C(#CC[NH+]1CCC(c2ccon2)CC1)C[NH+]1CCC(c2ccon2)CC1 ZINC000662047946 975122330 /nfs/dbraw/zinc/12/23/30/975122330.db2.gz MWPORHKDSZMCEI-UHFFFAOYSA-N 2 2 354.454 2.725 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088709586 975426636 /nfs/dbraw/zinc/42/66/36/975426636.db2.gz JHXRDOCDZCLPLT-QRWLVFNGSA-N 2 2 359.433 2.599 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1Cc1ccccc1C#N ZINC001088709586 975426641 /nfs/dbraw/zinc/42/66/41/975426641.db2.gz JHXRDOCDZCLPLT-QRWLVFNGSA-N 2 2 359.433 2.599 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087459787 977983030 /nfs/dbraw/zinc/98/30/30/977983030.db2.gz XTCYMRATUZCEGQ-IEBWSBKVSA-N 2 2 356.445 2.560 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087459787 977983035 /nfs/dbraw/zinc/98/30/35/977983035.db2.gz XTCYMRATUZCEGQ-IEBWSBKVSA-N 2 2 356.445 2.560 20 30 FFEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000877077032 1014469646 /nfs/dbraw/zinc/46/96/46/1014469646.db2.gz UPFKGTPBIGIRTQ-UHFFFAOYSA-N 2 2 370.884 2.853 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001087465104 978316407 /nfs/dbraw/zinc/31/64/07/978316407.db2.gz WFNBOUKHUJDEGV-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001087465104 978316412 /nfs/dbraw/zinc/31/64/12/978316412.db2.gz WFNBOUKHUJDEGV-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001087465104 978316418 /nfs/dbraw/zinc/31/64/18/978316418.db2.gz WFNBOUKHUJDEGV-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001087465104 978316423 /nfs/dbraw/zinc/31/64/23/978316423.db2.gz WFNBOUKHUJDEGV-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000134910274 981257462 /nfs/dbraw/zinc/25/74/62/981257462.db2.gz JYTUHCBLSJSLFL-IEBWSBKVSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000134910274 981257465 /nfs/dbraw/zinc/25/74/65/981257465.db2.gz JYTUHCBLSJSLFL-IEBWSBKVSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000134910274 981257466 /nfs/dbraw/zinc/25/74/66/981257466.db2.gz JYTUHCBLSJSLFL-IEBWSBKVSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000134910274 981257472 /nfs/dbraw/zinc/25/74/72/981257472.db2.gz JYTUHCBLSJSLFL-IEBWSBKVSA-N 2 2 358.530 2.620 20 30 FFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106340410 987983879 /nfs/dbraw/zinc/98/38/79/987983879.db2.gz WTVQAMDBUSITMM-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543749 991194798 /nfs/dbraw/zinc/19/47/98/991194798.db2.gz TWZWRDVSHRXCKF-YEWWUXTCSA-N 2 2 350.894 2.559 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543749 991194801 /nfs/dbraw/zinc/19/48/01/991194801.db2.gz TWZWRDVSHRXCKF-YEWWUXTCSA-N 2 2 350.894 2.559 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1c1ccc(F)cc1 ZINC001079155710 991858621 /nfs/dbraw/zinc/85/86/21/991858621.db2.gz OUQIXLDLZPXRPW-RBUKOAKNSA-N 2 2 370.472 2.652 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751495 992137799 /nfs/dbraw/zinc/13/77/99/992137799.db2.gz QAWQEUIGJCWWQE-QRVBRYPASA-N 2 2 370.541 2.947 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751495 992137808 /nfs/dbraw/zinc/13/78/08/992137808.db2.gz QAWQEUIGJCWWQE-QRVBRYPASA-N 2 2 370.541 2.947 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001081195431 993750308 /nfs/dbraw/zinc/75/03/08/993750308.db2.gz ABUYULGKYFEURM-LSTHTHJFSA-N 2 2 352.482 2.749 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001081195431 993750315 /nfs/dbraw/zinc/75/03/15/993750315.db2.gz ABUYULGKYFEURM-LSTHTHJFSA-N 2 2 352.482 2.749 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(OC)c1 ZINC000880470425 1015844035 /nfs/dbraw/zinc/84/40/35/1015844035.db2.gz IFRBMDZNYCCKJC-LJQANCHMSA-N 2 2 374.525 2.724 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001084975591 998451692 /nfs/dbraw/zinc/45/16/92/998451692.db2.gz KQZWLCTXHGMPNC-UWVAXJGDSA-N 2 2 356.514 2.712 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001084975591 998451698 /nfs/dbraw/zinc/45/16/98/998451698.db2.gz KQZWLCTXHGMPNC-UWVAXJGDSA-N 2 2 356.514 2.712 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001084975591 998451705 /nfs/dbraw/zinc/45/17/05/998451705.db2.gz KQZWLCTXHGMPNC-UWVAXJGDSA-N 2 2 356.514 2.712 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001084975591 998451709 /nfs/dbraw/zinc/45/17/09/998451709.db2.gz KQZWLCTXHGMPNC-UWVAXJGDSA-N 2 2 356.514 2.712 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001085204938 999159781 /nfs/dbraw/zinc/15/97/81/999159781.db2.gz SBLAFCJCGZUNHK-CPUCHLNUSA-N 2 2 365.909 2.560 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001085204938 999159785 /nfs/dbraw/zinc/15/97/85/999159785.db2.gz SBLAFCJCGZUNHK-CPUCHLNUSA-N 2 2 365.909 2.560 20 30 FFEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@]2(C)C1 ZINC001092098519 1002403321 /nfs/dbraw/zinc/40/33/21/1002403321.db2.gz VXJGJHOVTAKMSH-UTKZUKDTSA-N 2 2 352.482 2.542 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@]2(C)C1 ZINC001092098519 1002403326 /nfs/dbraw/zinc/40/33/26/1002403326.db2.gz VXJGJHOVTAKMSH-UTKZUKDTSA-N 2 2 352.482 2.542 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086596850 1002630428 /nfs/dbraw/zinc/63/04/28/1002630428.db2.gz XQAWSWRNEDPIFX-AZUAARDMSA-N 2 2 368.481 2.510 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086596850 1002630437 /nfs/dbraw/zinc/63/04/37/1002630437.db2.gz XQAWSWRNEDPIFX-AZUAARDMSA-N 2 2 368.481 2.510 20 30 FFEDLP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000121582651 1005220308 /nfs/dbraw/zinc/22/03/08/1005220308.db2.gz PLKJLTKVYKQKAR-DNVCBOLYSA-N 2 2 361.453 2.862 20 30 FFEDLP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000121582651 1005220310 /nfs/dbraw/zinc/22/03/10/1005220310.db2.gz PLKJLTKVYKQKAR-DNVCBOLYSA-N 2 2 361.453 2.862 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188389129 1006542600 /nfs/dbraw/zinc/54/26/00/1006542600.db2.gz ZONBDBZXJLOQEE-CMKODMSKSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188389129 1006542608 /nfs/dbraw/zinc/54/26/08/1006542608.db2.gz ZONBDBZXJLOQEE-CMKODMSKSA-N 2 2 358.530 2.949 20 30 FFEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819184182 1008060610 /nfs/dbraw/zinc/06/06/10/1008060610.db2.gz WOJLKCYDUMWGGG-IERDGZPVSA-N 2 2 350.466 2.802 20 30 FFEDLP C#C[C@@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000820583050 1008351255 /nfs/dbraw/zinc/35/12/55/1008351255.db2.gz DVZHHHVVQYBWQE-OAQYLSRUSA-N 2 2 368.525 2.563 20 30 FFEDLP C#C[C@@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000820583050 1008351259 /nfs/dbraw/zinc/35/12/59/1008351259.db2.gz DVZHHHVVQYBWQE-OAQYLSRUSA-N 2 2 368.525 2.563 20 30 FFEDLP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001178744112 1009111502 /nfs/dbraw/zinc/11/15/02/1009111502.db2.gz RDDDKESYRJKKKQ-RTBURBONSA-N 2 2 365.481 2.851 20 30 FFEDLP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001178744112 1009111513 /nfs/dbraw/zinc/11/15/13/1009111513.db2.gz RDDDKESYRJKKKQ-RTBURBONSA-N 2 2 365.481 2.851 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC001094450779 1011139617 /nfs/dbraw/zinc/13/96/17/1011139617.db2.gz KEAZLDBNRNRCNR-OZOXKJRCSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC001094450779 1011139621 /nfs/dbraw/zinc/13/96/21/1011139621.db2.gz KEAZLDBNRNRCNR-OZOXKJRCSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC001094450779 1011139625 /nfs/dbraw/zinc/13/96/25/1011139625.db2.gz KEAZLDBNRNRCNR-OZOXKJRCSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC001094450779 1011139629 /nfs/dbraw/zinc/13/96/29/1011139629.db2.gz KEAZLDBNRNRCNR-OZOXKJRCSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094453041 1011142481 /nfs/dbraw/zinc/14/24/81/1011142481.db2.gz JQBIZVAHUKSCNC-WAOWUJCRSA-N 2 2 356.514 2.773 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094453041 1011142483 /nfs/dbraw/zinc/14/24/83/1011142483.db2.gz JQBIZVAHUKSCNC-WAOWUJCRSA-N 2 2 356.514 2.773 20 30 FFEDLP C#C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001171572428 1011386197 /nfs/dbraw/zinc/38/61/97/1011386197.db2.gz IMPGZSOFVHBVSK-HXUWFJFHSA-N 2 2 367.537 2.799 20 30 FFEDLP C#C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001171572428 1011386208 /nfs/dbraw/zinc/38/62/08/1011386208.db2.gz IMPGZSOFVHBVSK-HXUWFJFHSA-N 2 2 367.537 2.799 20 30 FFEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000303981068 1012551540 /nfs/dbraw/zinc/55/15/40/1012551540.db2.gz OTBYXDOHRIIOCO-UHFFFAOYSA-N 2 2 370.476 2.550 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001041294588 1018768894 /nfs/dbraw/zinc/76/88/94/1018768894.db2.gz SGHAGUNWTDVTIZ-WOIUINJBSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001041294588 1018768905 /nfs/dbraw/zinc/76/89/05/1018768905.db2.gz SGHAGUNWTDVTIZ-WOIUINJBSA-N 2 2 368.525 2.654 20 30 FFEDLP C[NH+](C)CC#CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000931088992 1020313906 /nfs/dbraw/zinc/31/39/06/1020313906.db2.gz PQKXCRSAXHAOBZ-UHFFFAOYSA-N 2 2 351.454 2.573 20 30 FFEDLP C#CC[NH+]1CCC(NC(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CC1 ZINC000931588699 1020525596 /nfs/dbraw/zinc/52/55/96/1020525596.db2.gz BGQJRQIESFCUJZ-UHFFFAOYSA-N 2 2 351.454 2.520 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098188049 1020715613 /nfs/dbraw/zinc/71/56/13/1020715613.db2.gz VGZIDWIFWSDYIO-KURKYZTESA-N 2 2 351.922 2.582 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098188049 1020715620 /nfs/dbraw/zinc/71/56/20/1020715620.db2.gz VGZIDWIFWSDYIO-KURKYZTESA-N 2 2 351.922 2.582 20 30 FFEDLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CCOCC1)c1ccccc1 ZINC001120492889 1023339984 /nfs/dbraw/zinc/33/99/84/1023339984.db2.gz RHLXGEDVEBKBMX-MJGOQNOKSA-N 2 2 359.514 2.777 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760229 1028150116 /nfs/dbraw/zinc/15/01/16/1028150116.db2.gz DCEIYMACZFBABD-MISYRCLQSA-N 2 2 358.530 2.725 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760229 1028150123 /nfs/dbraw/zinc/15/01/23/1028150123.db2.gz DCEIYMACZFBABD-MISYRCLQSA-N 2 2 358.530 2.725 20 30 FFEDLP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001111756568 1029354164 /nfs/dbraw/zinc/35/41/64/1029354164.db2.gz UNBWGEJGUJBJCG-SCWSEQNSSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001111756568 1029354180 /nfs/dbraw/zinc/35/41/80/1029354180.db2.gz UNBWGEJGUJBJCG-SCWSEQNSSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001111756568 1029354194 /nfs/dbraw/zinc/35/41/94/1029354194.db2.gz UNBWGEJGUJBJCG-SCWSEQNSSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001111756568 1029354213 /nfs/dbraw/zinc/35/42/13/1029354213.db2.gz UNBWGEJGUJBJCG-SCWSEQNSSA-N 2 2 371.529 2.727 20 30 FFEDLP N#Cc1ccc(-c2cccs2)nc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158268240 1029780242 /nfs/dbraw/zinc/78/02/42/1029780242.db2.gz JVCRSJCFTWMYEC-OAHLLOKOSA-N 2 2 353.495 2.684 20 30 FFEDLP N#Cc1ccc(-c2cccs2)nc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158268240 1029780245 /nfs/dbraw/zinc/78/02/45/1029780245.db2.gz JVCRSJCFTWMYEC-OAHLLOKOSA-N 2 2 353.495 2.684 20 30 FFEDLP COc1ccc(OCCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000783558609 1030155914 /nfs/dbraw/zinc/15/59/14/1030155914.db2.gz ATHXZPDBKBOGOF-UHFFFAOYSA-N 2 2 357.454 2.863 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)cc1 ZINC001204300900 1031215308 /nfs/dbraw/zinc/21/53/08/1031215308.db2.gz LLCVFAZUTNIZAH-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CCOC)C3)cc1 ZINC001204300900 1031215316 /nfs/dbraw/zinc/21/53/16/1031215316.db2.gz LLCVFAZUTNIZAH-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)cc1 ZINC001204300900 1031215328 /nfs/dbraw/zinc/21/53/28/1031215328.db2.gz LLCVFAZUTNIZAH-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)cc1 ZINC001204300900 1031215343 /nfs/dbraw/zinc/21/53/43/1031215343.db2.gz LLCVFAZUTNIZAH-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205636242 1031894544 /nfs/dbraw/zinc/89/45/44/1031894544.db2.gz WENWJNXVUVEUJM-AZUAARDMSA-N 2 2 370.472 2.963 20 30 FFEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205658177 1031911526 /nfs/dbraw/zinc/91/15/26/1031911526.db2.gz ZYDUZUAKYLZBMS-XKGZKEIXSA-N 2 2 368.456 2.581 20 30 FFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001221656576 1034956139 /nfs/dbraw/zinc/95/61/39/1034956139.db2.gz PBOVWXFZMLKDES-CEXWTWQISA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001221656576 1034956146 /nfs/dbraw/zinc/95/61/46/1034956146.db2.gz PBOVWXFZMLKDES-CEXWTWQISA-N 2 2 358.530 2.949 20 30 FFEDLP CC#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001277547762 1037785152 /nfs/dbraw/zinc/78/51/52/1037785152.db2.gz KHPYUTPMHGAQOR-QRVBRYPASA-N 2 2 350.466 2.764 20 30 FFEDLP CC#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001277547762 1037785167 /nfs/dbraw/zinc/78/51/67/1037785167.db2.gz KHPYUTPMHGAQOR-QRVBRYPASA-N 2 2 350.466 2.764 20 30 FFEDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(F)c1C#N ZINC001236011700 1037887011 /nfs/dbraw/zinc/88/70/11/1037887011.db2.gz WUYJTRYZGRJMAE-GCJKJVERSA-N 2 2 364.468 2.736 20 30 FFEDLP CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(F)c1C#N ZINC001236011700 1037887033 /nfs/dbraw/zinc/88/70/33/1037887033.db2.gz WUYJTRYZGRJMAE-GCJKJVERSA-N 2 2 364.468 2.736 20 30 FFEDLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCCc1ccc(C#N)cc1)C2 ZINC001208861072 1038560549 /nfs/dbraw/zinc/56/05/49/1038560549.db2.gz ADSFFIGSUWBHKX-UHFFFAOYSA-N 2 2 366.513 2.828 20 30 FFEDLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCCc1ccc(C#N)cc1)C2 ZINC001208861072 1038560557 /nfs/dbraw/zinc/56/05/57/1038560557.db2.gz ADSFFIGSUWBHKX-UHFFFAOYSA-N 2 2 366.513 2.828 20 30 FFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCCc1ccc(C#N)cc1)C2 ZINC001208861072 1038560565 /nfs/dbraw/zinc/56/05/65/1038560565.db2.gz ADSFFIGSUWBHKX-UHFFFAOYSA-N 2 2 366.513 2.828 20 30 FFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCCc1ccc(C#N)cc1)C2 ZINC001208861072 1038560573 /nfs/dbraw/zinc/56/05/73/1038560573.db2.gz ADSFFIGSUWBHKX-UHFFFAOYSA-N 2 2 366.513 2.828 20 30 FFEDLP C=C[C@](C)(O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2ccccc2c1 ZINC001252583572 1039601776 /nfs/dbraw/zinc/60/17/76/1039601776.db2.gz NPWPOKKTLMKDEQ-FPOVZHCZSA-N 2 2 364.449 2.639 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+]1CCCC1 ZINC001211374976 1040118979 /nfs/dbraw/zinc/11/89/79/1040118979.db2.gz UZHMJVZSKCRQSW-DUXKGJEZSA-N 2 2 368.525 2.615 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+]1CCCC1 ZINC001211374976 1040118990 /nfs/dbraw/zinc/11/89/90/1040118990.db2.gz UZHMJVZSKCRQSW-DUXKGJEZSA-N 2 2 368.525 2.615 20 30 FFEDLP COC(C)(C)C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280055981 1044145939 /nfs/dbraw/zinc/14/59/39/1044145939.db2.gz CWAWGJCFDGAUBL-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280055981 1044145943 /nfs/dbraw/zinc/14/59/43/1044145943.db2.gz CWAWGJCFDGAUBL-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280055981 1044145947 /nfs/dbraw/zinc/14/59/47/1044145947.db2.gz CWAWGJCFDGAUBL-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280055981 1044145951 /nfs/dbraw/zinc/14/59/51/1044145951.db2.gz CWAWGJCFDGAUBL-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001341855051 1050467178 /nfs/dbraw/zinc/46/71/78/1050467178.db2.gz XMAGCRPZLACZOE-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001342098797 1050693698 /nfs/dbraw/zinc/69/36/98/1050693698.db2.gz BBKFKOCQKBOOHR-SFHVURJKSA-N 2 2 358.534 2.515 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001339528083 1056550022 /nfs/dbraw/zinc/55/00/22/1056550022.db2.gz BREFYLMPKYOORS-ZWKOTPCHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001339528083 1056550033 /nfs/dbraw/zinc/55/00/33/1056550033.db2.gz BREFYLMPKYOORS-ZWKOTPCHSA-N 2 2 358.534 2.686 20 30 FFEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359029401 1056665622 /nfs/dbraw/zinc/66/56/22/1056665622.db2.gz WSSFRKKSMCCVMN-LJQANCHMSA-N 2 2 374.577 2.666 20 30 FFEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]C3)o2)c1 ZINC001580074304 1078745178 /nfs/dbraw/zinc/74/51/78/1078745178.db2.gz JCHJGNSORGQMTQ-MSOLQXFVSA-N 2 2 351.454 2.962 20 30 FFEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3[C@@H]3CCC[NH2+]C3)o2)c1 ZINC001580074304 1078745181 /nfs/dbraw/zinc/74/51/81/1078745181.db2.gz JCHJGNSORGQMTQ-MSOLQXFVSA-N 2 2 351.454 2.962 20 30 FFEDLP CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373499901 512363699 /nfs/dbraw/zinc/36/36/99/512363699.db2.gz BGPLLHLPVJMBMC-CTNGQTDRSA-N 2 2 368.525 2.701 20 30 FFEDLP CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373499901 512363706 /nfs/dbraw/zinc/36/37/06/512363706.db2.gz BGPLLHLPVJMBMC-CTNGQTDRSA-N 2 2 368.525 2.701 20 30 FFEDLP C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369374725 512378597 /nfs/dbraw/zinc/37/85/97/512378597.db2.gz UFKXBOCJNIAXJX-LJQANCHMSA-N 2 2 356.514 2.553 20 30 FFEDLP C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369374725 512378592 /nfs/dbraw/zinc/37/85/92/512378592.db2.gz UFKXBOCJNIAXJX-LJQANCHMSA-N 2 2 356.514 2.553 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(C)C ZINC000076073546 508155817 /nfs/dbraw/zinc/15/58/17/508155817.db2.gz XNHKZVDBWOEIHQ-ROUUACIJSA-N 2 2 359.518 2.997 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000106245504 508398584 /nfs/dbraw/zinc/39/85/84/508398584.db2.gz HIFYXVHSGBJULM-UHFFFAOYSA-N 2 2 354.498 2.615 20 30 FFEDLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000130919229 508865147 /nfs/dbraw/zinc/86/51/47/508865147.db2.gz SLGKHKBSPQIKPK-CYBMUJFWSA-N 2 2 371.510 2.963 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150841156 508905418 /nfs/dbraw/zinc/90/54/18/508905418.db2.gz MYWUETYAHYKTRO-HXUWFJFHSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150841156 508905420 /nfs/dbraw/zinc/90/54/20/508905420.db2.gz MYWUETYAHYKTRO-HXUWFJFHSA-N 2 2 368.525 2.968 20 30 FFEDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000131549332 508948736 /nfs/dbraw/zinc/94/87/36/508948736.db2.gz PGOYWGBZVCYIRT-NRFANRHFSA-N 2 2 353.466 2.539 20 30 FFEDLP CCC[NH+]1CCC([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000192611765 509566628 /nfs/dbraw/zinc/56/66/28/509566628.db2.gz VEIUEIKXZVBYOJ-HXUWFJFHSA-N 2 2 354.498 2.860 20 30 FFEDLP CCC[NH+]1CCC([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000192611765 509566634 /nfs/dbraw/zinc/56/66/34/509566634.db2.gz VEIUEIKXZVBYOJ-HXUWFJFHSA-N 2 2 354.498 2.860 20 30 FFEDLP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC000192681988 509595374 /nfs/dbraw/zinc/59/53/74/509595374.db2.gz IHMPOIBGRKQUCA-LSTHTHJFSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC000192681988 509595384 /nfs/dbraw/zinc/59/53/84/509595384.db2.gz IHMPOIBGRKQUCA-LSTHTHJFSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC000192681988 509595392 /nfs/dbraw/zinc/59/53/92/509595392.db2.gz IHMPOIBGRKQUCA-LSTHTHJFSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 ZINC000192681988 509595396 /nfs/dbraw/zinc/59/53/96/509595396.db2.gz IHMPOIBGRKQUCA-LSTHTHJFSA-N 2 2 354.498 2.716 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000249426818 509679540 /nfs/dbraw/zinc/67/95/40/509679540.db2.gz IVCPGRMMDIXZMP-LMMKCTJWSA-N 2 2 372.513 2.612 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000249426818 509679550 /nfs/dbraw/zinc/67/95/50/509679550.db2.gz IVCPGRMMDIXZMP-LMMKCTJWSA-N 2 2 372.513 2.612 20 30 FFEDLP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261960568 510129318 /nfs/dbraw/zinc/12/93/18/510129318.db2.gz KBYXLIZNYDNLJE-LNLFQRSKSA-N 2 2 367.497 2.908 20 30 FFEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000187250234 510149729 /nfs/dbraw/zinc/14/97/29/510149729.db2.gz IJNXRZCVUIRZNF-UHFFFAOYSA-N 2 2 374.916 2.588 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NC[C@@]1(C)CCCS1 ZINC000262022606 510150509 /nfs/dbraw/zinc/15/05/09/510150509.db2.gz ZCTSHOAJFPDENW-GOSISDBHSA-N 2 2 358.515 2.526 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)CC1 ZINC000171705252 510318554 /nfs/dbraw/zinc/31/85/54/510318554.db2.gz TXZOPSIHXGXECE-SFHVURJKSA-N 2 2 371.460 2.598 20 30 FFEDLP COc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181549541 510468739 /nfs/dbraw/zinc/46/87/39/510468739.db2.gz JVPSBYNPPCVFGB-NRFANRHFSA-N 2 2 365.477 2.854 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 ZINC000181910832 510654959 /nfs/dbraw/zinc/65/49/59/510654959.db2.gz OVHIWHONQALGLA-QFIPXVFZSA-N 2 2 374.488 2.918 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270139143 510689053 /nfs/dbraw/zinc/68/90/53/510689053.db2.gz IDFOXBILHVXINU-QGZVFWFLSA-N 2 2 353.470 2.571 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270139143 510689056 /nfs/dbraw/zinc/68/90/56/510689056.db2.gz IDFOXBILHVXINU-QGZVFWFLSA-N 2 2 353.470 2.571 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246855871 510711093 /nfs/dbraw/zinc/71/10/93/510711093.db2.gz KXOAJWXUSVVUAV-GGPKGHCWSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246855871 510711098 /nfs/dbraw/zinc/71/10/98/510711098.db2.gz KXOAJWXUSVVUAV-GGPKGHCWSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246855871 510711104 /nfs/dbraw/zinc/71/11/04/510711104.db2.gz KXOAJWXUSVVUAV-GGPKGHCWSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246855871 510711110 /nfs/dbraw/zinc/71/11/10/510711110.db2.gz KXOAJWXUSVVUAV-GGPKGHCWSA-N 2 2 354.498 2.738 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247352621 510858269 /nfs/dbraw/zinc/85/82/69/510858269.db2.gz LMDMJFDCZFVSNI-AZUAARDMSA-N 2 2 367.493 2.984 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247352621 510858270 /nfs/dbraw/zinc/85/82/70/510858270.db2.gz LMDMJFDCZFVSNI-AZUAARDMSA-N 2 2 367.493 2.984 20 30 FFEDLP CC1CC[NH+](C2CCC(NC([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)CC1 ZINC000330283656 510957335 /nfs/dbraw/zinc/95/73/35/510957335.db2.gz WJAFYWQEZQTWJE-ADKAHSJRSA-N 2 2 359.518 2.745 20 30 FFEDLP CC1CC[NH+](C2CCC([NH+]=C([O-])N[C@H]3CCn4cc[nH+]c4C3)CC2)CC1 ZINC000330283656 510957337 /nfs/dbraw/zinc/95/73/37/510957337.db2.gz WJAFYWQEZQTWJE-ADKAHSJRSA-N 2 2 359.518 2.745 20 30 FFEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1cc(F)ccc1F ZINC000288731223 511084144 /nfs/dbraw/zinc/08/41/44/511084144.db2.gz NPNUPNLCJFMWCI-UHFFFAOYSA-N 2 2 360.408 2.724 20 30 FFEDLP C=C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000362677754 511216469 /nfs/dbraw/zinc/21/64/69/511216469.db2.gz UWCDUXGZYZUUDU-NQIIRXRSSA-N 2 2 355.526 2.973 20 30 FFEDLP C=C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000362677754 511216473 /nfs/dbraw/zinc/21/64/73/511216473.db2.gz UWCDUXGZYZUUDU-NQIIRXRSSA-N 2 2 355.526 2.973 20 30 FFEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)C(F)(F)F ZINC000271909161 511367751 /nfs/dbraw/zinc/36/77/51/511367751.db2.gz XMJRHGLFXAIIFR-IAGOWNOFSA-N 2 2 355.404 2.814 20 30 FFEDLP Cc1cn2c([nH+]1)[C@@H](C[NH+]=C([O-])N1CCc3c([nH+]c(C(C)C)n3C)C1)CCC2 ZINC000328658977 511911107 /nfs/dbraw/zinc/91/11/07/511911107.db2.gz RYPGAYQNJFWCBS-OAHLLOKOSA-N 2 2 370.501 2.898 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000328855537 511941063 /nfs/dbraw/zinc/94/10/63/511941063.db2.gz JWPJROMHLLAAJV-MRXNPFEDSA-N 2 2 359.518 2.921 20 30 FFEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281994716 512040134 /nfs/dbraw/zinc/04/01/34/512040134.db2.gz IJRBVIDQZMEHRN-QGZVFWFLSA-N 2 2 363.465 2.909 20 30 FFEDLP N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281994716 512040138 /nfs/dbraw/zinc/04/01/38/512040138.db2.gz IJRBVIDQZMEHRN-QGZVFWFLSA-N 2 2 363.465 2.909 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(OC)c1 ZINC000374198097 512704823 /nfs/dbraw/zinc/70/48/23/512704823.db2.gz HAZZTRZFUOVCJI-SFHVURJKSA-N 2 2 371.481 2.766 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374213440 512709387 /nfs/dbraw/zinc/70/93/87/512709387.db2.gz UDRPMIQSBJZOGZ-LFDOHDQPSA-N 2 2 357.502 2.908 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374213440 512709393 /nfs/dbraw/zinc/70/93/93/512709393.db2.gz UDRPMIQSBJZOGZ-LFDOHDQPSA-N 2 2 357.502 2.908 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372572722 512948085 /nfs/dbraw/zinc/94/80/85/512948085.db2.gz KHHMHVHHMODCHD-HOJAQTOUSA-N 2 2 356.514 2.595 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372572722 512948089 /nfs/dbraw/zinc/94/80/89/512948089.db2.gz KHHMHVHHMODCHD-HOJAQTOUSA-N 2 2 356.514 2.595 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372572722 512948093 /nfs/dbraw/zinc/94/80/93/512948093.db2.gz KHHMHVHHMODCHD-HOJAQTOUSA-N 2 2 356.514 2.595 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372572722 512948097 /nfs/dbraw/zinc/94/80/97/512948097.db2.gz KHHMHVHHMODCHD-HOJAQTOUSA-N 2 2 356.514 2.595 20 30 FFEDLP C=CCOc1ccc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422013725 513522844 /nfs/dbraw/zinc/52/28/44/513522844.db2.gz XUJDUYYDAYAPPX-UHFFFAOYSA-N 2 2 371.525 2.884 20 30 FFEDLP C=CCOc1ccc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000422013725 513522851 /nfs/dbraw/zinc/52/28/51/513522851.db2.gz XUJDUYYDAYAPPX-UHFFFAOYSA-N 2 2 371.525 2.884 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)C(C)C ZINC000423325942 514109837 /nfs/dbraw/zinc/10/98/37/514109837.db2.gz CGRBQFJDKSJAOL-SJLPKXTDSA-N 2 2 351.441 2.779 20 30 FFEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512610810 516312418 /nfs/dbraw/zinc/31/24/18/516312418.db2.gz FCIAPIQLRHYHOH-KKSFZXQISA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512610810 516312421 /nfs/dbraw/zinc/31/24/21/516312421.db2.gz FCIAPIQLRHYHOH-KKSFZXQISA-N 2 2 353.441 2.985 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C(N)=O)cc1 ZINC000523732903 516561093 /nfs/dbraw/zinc/56/10/93/516561093.db2.gz AKWVJJPNYPUNQP-VQIMIIECSA-N 2 2 368.506 2.648 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C(N)=O)cc1 ZINC000523732903 516561101 /nfs/dbraw/zinc/56/11/01/516561101.db2.gz AKWVJJPNYPUNQP-VQIMIIECSA-N 2 2 368.506 2.648 20 30 FFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(C#N)c(F)c3)c2cc1C ZINC000572628942 518285372 /nfs/dbraw/zinc/28/53/72/518285372.db2.gz SADLBZCYHRBTBX-QGZVFWFLSA-N 2 2 352.413 2.815 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@](O)(C(F)(F)F)C3)CC2)cc1 ZINC000589938317 519109623 /nfs/dbraw/zinc/10/96/23/519109623.db2.gz LZXXEINIXRVCKZ-QZTJIDSGSA-N 2 2 367.415 2.958 20 30 FFEDLP CCc1ccc([C@@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000580908182 519421976 /nfs/dbraw/zinc/42/19/76/519421976.db2.gz HHPVCXLCIFLKHZ-IFMALSPDSA-N 2 2 367.493 2.753 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000578125712 519430770 /nfs/dbraw/zinc/43/07/70/519430770.db2.gz ONOYQOJBFDBQLS-WBVHZDCISA-N 2 2 363.465 2.908 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000578125712 519430774 /nfs/dbraw/zinc/43/07/74/519430774.db2.gz ONOYQOJBFDBQLS-WBVHZDCISA-N 2 2 363.465 2.908 20 30 FFEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C#N)cn1 ZINC000578374727 519558795 /nfs/dbraw/zinc/55/87/95/519558795.db2.gz KMCBLSXUTNZFDT-UHFFFAOYSA-N 3 2 355.530 2.581 20 30 FFEDLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441404 519966765 /nfs/dbraw/zinc/96/67/65/519966765.db2.gz RNSHJVGYXMGWRQ-MAUKXSAKSA-N 2 2 362.905 2.956 20 30 FFEDLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)C[C@@H](C)O1 ZINC000594441399 519967457 /nfs/dbraw/zinc/96/74/57/519967457.db2.gz RMYMCBHOVCFJGW-JFIYKMOQSA-N 2 2 358.486 2.646 20 30 FFEDLP CC(C)(C)N1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000594993805 520247682 /nfs/dbraw/zinc/24/76/82/520247682.db2.gz QXXSOFQTNNPRDD-LJQANCHMSA-N 2 2 368.525 2.759 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C(N)=O)cc1 ZINC000609676810 520405318 /nfs/dbraw/zinc/40/53/18/520405318.db2.gz XLPJVZHLAKQRBI-LQCXBHPOSA-N 2 2 374.488 2.870 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C(N)=O)cc1 ZINC000609676810 520405328 /nfs/dbraw/zinc/40/53/28/520405328.db2.gz XLPJVZHLAKQRBI-LQCXBHPOSA-N 2 2 374.488 2.870 20 30 FFEDLP C[C@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000600736396 520435616 /nfs/dbraw/zinc/43/56/16/520435616.db2.gz YIGPVWZEITVEFA-NHCUHLMSSA-N 2 2 371.525 2.702 20 30 FFEDLP C[C@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000600736396 520435622 /nfs/dbraw/zinc/43/56/22/520435622.db2.gz YIGPVWZEITVEFA-NHCUHLMSSA-N 2 2 371.525 2.702 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610944869 520913382 /nfs/dbraw/zinc/91/33/82/520913382.db2.gz GDJVXUNVLKPDBI-KBPBESRZSA-N 2 2 369.494 2.969 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610944869 520913389 /nfs/dbraw/zinc/91/33/89/520913389.db2.gz GDJVXUNVLKPDBI-KBPBESRZSA-N 2 2 369.494 2.969 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593968425 521322171 /nfs/dbraw/zinc/32/21/71/521322171.db2.gz KUSWHJISPHKXQJ-HOTGVXAUSA-N 2 2 369.444 2.684 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593968425 521322178 /nfs/dbraw/zinc/32/21/78/521322178.db2.gz KUSWHJISPHKXQJ-HOTGVXAUSA-N 2 2 369.444 2.684 20 30 FFEDLP C=CCOc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607366173 521342481 /nfs/dbraw/zinc/34/24/81/521342481.db2.gz AELIDKHASRRBIT-JOCHJYFZSA-N 2 2 352.478 2.978 20 30 FFEDLP C=CCOc1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366173 521342491 /nfs/dbraw/zinc/34/24/91/521342491.db2.gz AELIDKHASRRBIT-JOCHJYFZSA-N 2 2 352.478 2.978 20 30 FFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000602569696 521415268 /nfs/dbraw/zinc/41/52/68/521415268.db2.gz RKVYAQVDBOKYDA-IBGZPJMESA-N 2 2 363.546 2.958 20 30 FFEDLP C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000602575659 521416558 /nfs/dbraw/zinc/41/65/58/521416558.db2.gz UXNOEMASMMDYFU-FUHWJXTLSA-N 2 2 357.502 2.733 20 30 FFEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCOCC1 ZINC000602708899 521489555 /nfs/dbraw/zinc/48/95/55/521489555.db2.gz ZEWQRHQJMRXHPW-OAQYLSRUSA-N 2 2 357.498 2.554 20 30 FFEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000858467109 730426530 /nfs/dbraw/zinc/42/65/30/730426530.db2.gz QPPMHPNDDHHRSV-YJBOKZPZSA-N 2 2 365.905 2.808 20 30 FFEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000858467109 730426531 /nfs/dbraw/zinc/42/65/31/730426531.db2.gz QPPMHPNDDHHRSV-YJBOKZPZSA-N 2 2 365.905 2.808 20 30 FFEDLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877535009 732382952 /nfs/dbraw/zinc/38/29/52/732382952.db2.gz JIECDVLJKLBTDB-UHFFFAOYSA-N 2 2 359.861 2.622 20 30 FFEDLP C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000665394907 732702968 /nfs/dbraw/zinc/70/29/68/732702968.db2.gz XGPDYPCAYOXTAC-IEBWSBKVSA-N 2 2 350.551 2.789 20 30 FFEDLP C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665394907 732702972 /nfs/dbraw/zinc/70/29/72/732702972.db2.gz XGPDYPCAYOXTAC-IEBWSBKVSA-N 2 2 350.551 2.789 20 30 FFEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007157 741185176 /nfs/dbraw/zinc/18/51/76/741185176.db2.gz WFUAEQRHLMQXEY-MOPGFXCFSA-N 2 2 361.917 2.619 20 30 FFEDLP C=C(Cl)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007157 741185179 /nfs/dbraw/zinc/18/51/79/741185179.db2.gz WFUAEQRHLMQXEY-MOPGFXCFSA-N 2 2 361.917 2.619 20 30 FFEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007157 741185182 /nfs/dbraw/zinc/18/51/82/741185182.db2.gz WFUAEQRHLMQXEY-MOPGFXCFSA-N 2 2 361.917 2.619 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC000982007157 741185184 /nfs/dbraw/zinc/18/51/84/741185184.db2.gz WFUAEQRHLMQXEY-MOPGFXCFSA-N 2 2 361.917 2.619 20 30 FFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001105071170 971455291 /nfs/dbraw/zinc/45/52/91/971455291.db2.gz LZGAZYHCSVHFRK-OLMNPRSZSA-N 2 2 364.921 2.511 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001105070980 971455405 /nfs/dbraw/zinc/45/54/05/971455405.db2.gz HPERHNLJRYNKPI-RLLQIKCJSA-N 2 2 358.530 2.725 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C/C=C\c2ccccc2)[C@@H]1CC ZINC001087607139 968342542 /nfs/dbraw/zinc/34/25/42/968342542.db2.gz NITVNGDLVKKGGW-AFKPVQDDSA-N 2 2 365.521 2.767 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C/C=C\c2ccccc2)[C@@H]1CC ZINC001087607139 968342546 /nfs/dbraw/zinc/34/25/46/968342546.db2.gz NITVNGDLVKKGGW-AFKPVQDDSA-N 2 2 365.521 2.767 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C/C=C\c2ccccc2)[C@@H]1CC ZINC001087607139 968342555 /nfs/dbraw/zinc/34/25/55/968342555.db2.gz NITVNGDLVKKGGW-AFKPVQDDSA-N 2 2 365.521 2.767 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C/C=C\c2ccccc2)[C@@H]1CC ZINC001087607139 968342558 /nfs/dbraw/zinc/34/25/58/968342558.db2.gz NITVNGDLVKKGGW-AFKPVQDDSA-N 2 2 365.521 2.767 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C)[C@@H]1CC ZINC001087607364 968343847 /nfs/dbraw/zinc/34/38/47/968343847.db2.gz ZXJMBFIDNSGUHP-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C)[C@@H]1CC ZINC001087607364 968343851 /nfs/dbraw/zinc/34/38/51/968343851.db2.gz ZXJMBFIDNSGUHP-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(F)ccc2C)[C@@H]1CC ZINC001087607364 968343858 /nfs/dbraw/zinc/34/38/58/968343858.db2.gz ZXJMBFIDNSGUHP-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(F)ccc2C)[C@@H]1CC ZINC001087607364 968343863 /nfs/dbraw/zinc/34/38/63/968343863.db2.gz ZXJMBFIDNSGUHP-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001028546396 978036734 /nfs/dbraw/zinc/03/67/34/978036734.db2.gz UHWILFMMQNHNPO-GUDVDZBRSA-N 2 2 356.514 2.558 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001028546396 978036746 /nfs/dbraw/zinc/03/67/46/978036746.db2.gz UHWILFMMQNHNPO-GUDVDZBRSA-N 2 2 356.514 2.558 20 30 FFEDLP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000664235614 978411429 /nfs/dbraw/zinc/41/14/29/978411429.db2.gz VVORSJJKQRZFPY-KDURUIRLSA-N 2 2 360.546 2.829 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)sc2C)[C@@H]1C ZINC001088631780 982039855 /nfs/dbraw/zinc/03/98/55/982039855.db2.gz GAPRROWFMCNPQZ-MNEFBYGVSA-N 2 2 359.539 2.542 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)sc2C)[C@@H]1C ZINC001088631780 982039865 /nfs/dbraw/zinc/03/98/65/982039865.db2.gz GAPRROWFMCNPQZ-MNEFBYGVSA-N 2 2 359.539 2.542 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)sc2C)[C@@H]1C ZINC001088631780 982039876 /nfs/dbraw/zinc/03/98/76/982039876.db2.gz GAPRROWFMCNPQZ-MNEFBYGVSA-N 2 2 359.539 2.542 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)sc2C)[C@@H]1C ZINC001088631780 982039882 /nfs/dbraw/zinc/03/98/82/982039882.db2.gz GAPRROWFMCNPQZ-MNEFBYGVSA-N 2 2 359.539 2.542 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088663482 982239110 /nfs/dbraw/zinc/23/91/10/982239110.db2.gz DDTRPJORVMJLID-KDOFPFPSSA-N 2 2 359.433 2.827 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088663482 982239117 /nfs/dbraw/zinc/23/91/17/982239117.db2.gz DDTRPJORVMJLID-KDOFPFPSSA-N 2 2 359.433 2.827 20 30 FFEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089059461 986139242 /nfs/dbraw/zinc/13/92/42/986139242.db2.gz NDLSOAJAQGILST-JRGCBEDISA-N 2 2 371.500 2.631 20 30 FFEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089059461 986139254 /nfs/dbraw/zinc/13/92/54/986139254.db2.gz NDLSOAJAQGILST-JRGCBEDISA-N 2 2 371.500 2.631 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089059461 986139258 /nfs/dbraw/zinc/13/92/58/986139258.db2.gz NDLSOAJAQGILST-JRGCBEDISA-N 2 2 371.500 2.631 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089059461 986139262 /nfs/dbraw/zinc/13/92/62/986139262.db2.gz NDLSOAJAQGILST-JRGCBEDISA-N 2 2 371.500 2.631 20 30 FFEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CC[C@@H]2C1 ZINC000946595133 988844172 /nfs/dbraw/zinc/84/41/72/988844172.db2.gz KAYRTUONCZVEIU-YSTOQKLRSA-N 2 2 368.525 2.510 20 30 FFEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CC[C@@H]2C1 ZINC000946595133 988844186 /nfs/dbraw/zinc/84/41/86/988844186.db2.gz KAYRTUONCZVEIU-YSTOQKLRSA-N 2 2 368.525 2.510 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786065 989474981 /nfs/dbraw/zinc/47/49/81/989474981.db2.gz CSSJSHLKRWEBMQ-FCGDIQPGSA-N 2 2 356.514 2.660 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786065 989474984 /nfs/dbraw/zinc/47/49/84/989474984.db2.gz CSSJSHLKRWEBMQ-FCGDIQPGSA-N 2 2 356.514 2.660 20 30 FFEDLP C#CCCC[C@H]([NH3+])c1nc(-c2cccc(C(=O)Cn3cc[nH+]c3C)c2)no1 ZINC001212327139 991691034 /nfs/dbraw/zinc/69/10/34/991691034.db2.gz OVJRQUDHKAMIHB-KRWDZBQOSA-N 2 2 363.421 2.928 20 30 FFEDLP CC1([NH2+]Cc2cccc(C#N)c2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000940159683 991948978 /nfs/dbraw/zinc/94/89/78/991948978.db2.gz PEZUXWRPTNJNOA-QZTJIDSGSA-N 2 2 363.465 2.556 20 30 FFEDLP CC1([NH2+]Cc2cccc(C#N)c2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000940159683 991948982 /nfs/dbraw/zinc/94/89/82/991948982.db2.gz PEZUXWRPTNJNOA-QZTJIDSGSA-N 2 2 363.465 2.556 20 30 FFEDLP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000879952187 1015715865 /nfs/dbraw/zinc/71/58/65/1015715865.db2.gz UWVRSMKFDXNKRU-IBGZPJMESA-N 2 2 357.498 2.638 20 30 FFEDLP COC(=O)Cc1ccc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000844605995 998023123 /nfs/dbraw/zinc/02/31/23/998023123.db2.gz ORZIXLGUCJRSLP-UHFFFAOYSA-N 2 2 366.465 2.600 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768349249 1000221613 /nfs/dbraw/zinc/22/16/13/1000221613.db2.gz ZONPNTNUCMWNRA-FQEVSTJZSA-N 2 2 355.482 2.587 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000768349249 1000221623 /nfs/dbraw/zinc/22/16/23/1000221623.db2.gz ZONPNTNUCMWNRA-FQEVSTJZSA-N 2 2 355.482 2.587 20 30 FFEDLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001109770934 1000978290 /nfs/dbraw/zinc/97/82/90/1000978290.db2.gz HNJMODUBOASCMG-XCLNPWKQSA-N 2 2 363.465 2.628 20 30 FFEDLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001109770934 1000978295 /nfs/dbraw/zinc/97/82/95/1000978295.db2.gz HNJMODUBOASCMG-XCLNPWKQSA-N 2 2 363.465 2.628 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)cccc1C ZINC001095555256 1016747324 /nfs/dbraw/zinc/74/73/24/1016747324.db2.gz BYWMDAMUSDUGPH-GBAJDQEWSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)cccc1C ZINC001095555256 1016747339 /nfs/dbraw/zinc/74/73/39/1016747339.db2.gz BYWMDAMUSDUGPH-GBAJDQEWSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1c(C)cccc1C ZINC001095555256 1016747351 /nfs/dbraw/zinc/74/73/51/1016747351.db2.gz BYWMDAMUSDUGPH-GBAJDQEWSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1c(C)cccc1C ZINC001095555256 1016747358 /nfs/dbraw/zinc/74/73/58/1016747358.db2.gz BYWMDAMUSDUGPH-GBAJDQEWSA-N 2 2 365.521 2.623 20 30 FFEDLP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001001414227 1016790034 /nfs/dbraw/zinc/79/00/34/1016790034.db2.gz WRUMVQPUPONMKK-IEBWSBKVSA-N 2 2 356.514 2.558 20 30 FFEDLP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001489069148 1005403665 /nfs/dbraw/zinc/40/36/65/1005403665.db2.gz ANDIPMDJZRPBCR-QZTJIDSGSA-N 2 2 352.482 2.968 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125283 1009938463 /nfs/dbraw/zinc/93/84/63/1009938463.db2.gz KYBOVNNOKFCDIL-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001093125283 1009938479 /nfs/dbraw/zinc/93/84/79/1009938479.db2.gz KYBOVNNOKFCDIL-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C#N)c1O ZINC000866323457 1010976689 /nfs/dbraw/zinc/97/66/89/1010976689.db2.gz IOAPXTQBJNOEGX-RHSMWYFYSA-N 2 2 351.454 2.972 20 30 FFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CC[NH+](CCCOC)CC1)CCO2 ZINC001172255283 1011730349 /nfs/dbraw/zinc/73/03/49/1011730349.db2.gz MEAOFXWACRLXSG-TZIWHRDSSA-N 2 2 366.546 2.561 20 30 FFEDLP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](CCCOC)CC1)CCO2 ZINC001172255283 1011730361 /nfs/dbraw/zinc/73/03/61/1011730361.db2.gz MEAOFXWACRLXSG-TZIWHRDSSA-N 2 2 366.546 2.561 20 30 FFEDLP C[N@H+](CCNC(=[NH2+])N[C@H]1CCOc2ccccc21)Cc1ccc(F)cc1 ZINC000304755468 1012863433 /nfs/dbraw/zinc/86/34/33/1012863433.db2.gz ZHGLDHDIQNBJQJ-SFHVURJKSA-N 2 2 356.445 2.686 20 30 FFEDLP C[N@@H+](CCNC(=[NH2+])N[C@H]1CCOc2ccccc21)Cc1ccc(F)cc1 ZINC000304755468 1012863450 /nfs/dbraw/zinc/86/34/50/1012863450.db2.gz ZHGLDHDIQNBJQJ-SFHVURJKSA-N 2 2 356.445 2.686 20 30 FFEDLP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCn1cc[nH+]c1 ZINC000924555085 1017354639 /nfs/dbraw/zinc/35/46/39/1017354639.db2.gz YIMVJDHRNVIIED-MRXNPFEDSA-N 2 2 361.490 2.792 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000929583905 1019523314 /nfs/dbraw/zinc/52/33/14/1019523314.db2.gz GFODCHYVEPUZDO-UHFFFAOYSA-N 2 2 359.433 2.783 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC000929583905 1019523325 /nfs/dbraw/zinc/52/33/25/1019523325.db2.gz GFODCHYVEPUZDO-UHFFFAOYSA-N 2 2 359.433 2.783 20 30 FFEDLP C[NH+](C)CC[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccnc1 ZINC001120276858 1023291242 /nfs/dbraw/zinc/29/12/42/1023291242.db2.gz AQZFGDYVSMPTKD-LJQANCHMSA-N 2 2 351.454 2.564 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001122530011 1023321895 /nfs/dbraw/zinc/32/18/95/1023321895.db2.gz VQSBRCWNMHXKIH-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001122530011 1023321904 /nfs/dbraw/zinc/32/19/04/1023321904.db2.gz VQSBRCWNMHXKIH-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001122530011 1023321908 /nfs/dbraw/zinc/32/19/08/1023321908.db2.gz VQSBRCWNMHXKIH-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001122530011 1023321911 /nfs/dbraw/zinc/32/19/11/1023321911.db2.gz VQSBRCWNMHXKIH-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C#CCOc1ccccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779225480 1023387850 /nfs/dbraw/zinc/38/78/50/1023387850.db2.gz SFNSKGVEOBRRSV-QHCPKHFHSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779225480 1023387857 /nfs/dbraw/zinc/38/78/57/1023387857.db2.gz SFNSKGVEOBRRSV-QHCPKHFHSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779225480 1023387867 /nfs/dbraw/zinc/38/78/67/1023387867.db2.gz SFNSKGVEOBRRSV-QHCPKHFHSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779225480 1023387877 /nfs/dbraw/zinc/38/78/77/1023387877.db2.gz SFNSKGVEOBRRSV-QHCPKHFHSA-N 2 2 364.489 2.767 20 30 FFEDLP Cc1c(C=NNc2cc[nH+]cc2)c2ccccn2c1C=NNc1cc[nH+]cc1 ZINC000779809206 1024719555 /nfs/dbraw/zinc/71/95/55/1024719555.db2.gz UXHPYDJULPNVJO-UHFFFAOYSA-N 2 2 369.432 2.774 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103605030 1027767114 /nfs/dbraw/zinc/76/71/14/1027767114.db2.gz GNMCNPXGYWOGTE-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103605030 1027767132 /nfs/dbraw/zinc/76/71/32/1027767132.db2.gz GNMCNPXGYWOGTE-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160950875 1027940574 /nfs/dbraw/zinc/94/05/74/1027940574.db2.gz IOSZIDQZPWRBEH-QGZVFWFLSA-N 2 2 362.477 2.729 20 30 FFEDLP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC1 ZINC000957608348 1028397842 /nfs/dbraw/zinc/39/78/42/1028397842.db2.gz IHZYVKDJIGCNOR-QZTJIDSGSA-N 2 2 356.514 2.804 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C(F)(F)F ZINC001112121694 1030050084 /nfs/dbraw/zinc/05/00/84/1030050084.db2.gz ZYMOSYUWGBUZHG-IUODEOHRSA-N 2 2 352.360 2.732 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112192982 1030198940 /nfs/dbraw/zinc/19/89/40/1030198940.db2.gz DNDRTWCSARMHFO-CHWSQXEVSA-N 2 2 358.408 2.632 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205439999 1031747419 /nfs/dbraw/zinc/74/74/19/1031747419.db2.gz VFPNMCAVAPLMSC-RBUKOAKNSA-N 2 2 356.445 2.642 20 30 FFEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001226316760 1034626420 /nfs/dbraw/zinc/62/64/20/1034626420.db2.gz YFMYIWCYUKIJFU-NCXUSEDFSA-N 2 2 356.514 2.747 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001221563494 1034877969 /nfs/dbraw/zinc/87/79/69/1034877969.db2.gz SSFKGEIBNAUWKC-ZHALLVOQSA-N 2 2 356.514 2.649 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001221563494 1034877972 /nfs/dbraw/zinc/87/79/72/1034877972.db2.gz SSFKGEIBNAUWKC-ZHALLVOQSA-N 2 2 356.514 2.649 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221711064 1035001793 /nfs/dbraw/zinc/00/17/93/1035001793.db2.gz XBDHEYWHQKMUTR-IAGOWNOFSA-N 2 2 353.938 2.784 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221711064 1035001802 /nfs/dbraw/zinc/00/18/02/1035001802.db2.gz XBDHEYWHQKMUTR-IAGOWNOFSA-N 2 2 353.938 2.784 20 30 FFEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCn2cc[nH+]c2)c1 ZINC001227839867 1035767147 /nfs/dbraw/zinc/76/71/47/1035767147.db2.gz MDBAUCWEBDOPBV-RTBURBONSA-N 2 2 369.444 2.501 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(F)c(C#N)c(F)c4)C[C@H]3C2)cn1 ZINC001140757387 1036071138 /nfs/dbraw/zinc/07/11/38/1036071138.db2.gz IDJRBLFIZAEDMO-IAGOWNOFSA-N 2 2 371.435 2.524 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(F)c(C#N)c(F)c4)C[C@H]3C2)cn1 ZINC001140757387 1036071154 /nfs/dbraw/zinc/07/11/54/1036071154.db2.gz IDJRBLFIZAEDMO-IAGOWNOFSA-N 2 2 371.435 2.524 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(F)c(C#N)c(F)c4)C[C@H]3C2)cn1 ZINC001140757387 1036071174 /nfs/dbraw/zinc/07/11/74/1036071174.db2.gz IDJRBLFIZAEDMO-IAGOWNOFSA-N 2 2 371.435 2.524 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(F)c(C#N)c(F)c4)C[C@H]3C2)cn1 ZINC001140757387 1036071190 /nfs/dbraw/zinc/07/11/90/1036071190.db2.gz IDJRBLFIZAEDMO-IAGOWNOFSA-N 2 2 371.435 2.524 20 30 FFEDLP COCC[N@H+](Cc1ccc(Br)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001232895331 1036136988 /nfs/dbraw/zinc/13/69/88/1036136988.db2.gz LTYOCUDEAXWUFZ-UHFFFAOYSA-N 2 2 366.303 2.863 20 30 FFEDLP COCC[N@@H+](Cc1ccc(Br)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001232895331 1036136998 /nfs/dbraw/zinc/13/69/98/1036136998.db2.gz LTYOCUDEAXWUFZ-UHFFFAOYSA-N 2 2 366.303 2.863 20 30 FFEDLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001228800268 1036332800 /nfs/dbraw/zinc/33/28/00/1036332800.db2.gz GUGVAPBGYIIFEE-RTBURBONSA-N 2 2 370.884 2.674 20 30 FFEDLP N#Cc1ccnc(N2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208948720 1038600654 /nfs/dbraw/zinc/60/06/54/1038600654.db2.gz HXSADIAWNKYTKY-NRFANRHFSA-N 2 2 361.493 2.597 20 30 FFEDLP N#Cc1ccnc(N2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208948720 1038600657 /nfs/dbraw/zinc/60/06/57/1038600657.db2.gz HXSADIAWNKYTKY-NRFANRHFSA-N 2 2 361.493 2.597 20 30 FFEDLP N#C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CCN1 ZINC001246423660 1039350242 /nfs/dbraw/zinc/35/02/42/1039350242.db2.gz QLUKVNICFJWDHE-HOTGVXAUSA-N 2 2 352.404 2.518 20 30 FFEDLP C=CCOC[C@@H](O)C[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001252486965 1039554461 /nfs/dbraw/zinc/55/44/61/1039554461.db2.gz KRSGEGDQZFJYEZ-QFIPXVFZSA-N 2 2 366.505 2.861 20 30 FFEDLP N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001248180326 1040160823 /nfs/dbraw/zinc/16/08/23/1040160823.db2.gz URKZDUBVVJNTSO-KRWDZBQOSA-N 2 2 370.416 2.906 20 30 FFEDLP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)CC1 ZINC001254853393 1041006271 /nfs/dbraw/zinc/00/62/71/1041006271.db2.gz OFHVNDBLIRVNQX-LJQANCHMSA-N 2 2 361.530 2.971 20 30 FFEDLP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C2)CC1 ZINC001254853393 1041006285 /nfs/dbraw/zinc/00/62/85/1041006285.db2.gz OFHVNDBLIRVNQX-LJQANCHMSA-N 2 2 361.530 2.971 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001215920684 1041909632 /nfs/dbraw/zinc/90/96/32/1041909632.db2.gz PLNNELTXKJPXJC-ZIFCJYIRSA-N 2 2 354.498 2.976 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216367108 1042010741 /nfs/dbraw/zinc/01/07/41/1042010741.db2.gz ZVGAYHRJOWIAPF-JTDSTZFVSA-N 2 2 353.470 2.672 20 30 FFEDLP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001264446590 1042673708 /nfs/dbraw/zinc/67/37/08/1042673708.db2.gz DPPJEOHUPWKIHU-LEWJYISDSA-N 2 2 364.493 2.579 20 30 FFEDLP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001264446590 1042673711 /nfs/dbraw/zinc/67/37/11/1042673711.db2.gz DPPJEOHUPWKIHU-LEWJYISDSA-N 2 2 364.493 2.579 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)cc4Cl)C[C@@H]3C2)cn1 ZINC001238082442 1043522272 /nfs/dbraw/zinc/52/22/72/1043522272.db2.gz KAWAPHMHPVLGMT-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)cc4Cl)C[C@@H]3C2)cn1 ZINC001238082442 1043522281 /nfs/dbraw/zinc/52/22/81/1043522281.db2.gz KAWAPHMHPVLGMT-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C#N)cc4Cl)C[C@@H]3C2)cn1 ZINC001238082442 1043522289 /nfs/dbraw/zinc/52/22/89/1043522289.db2.gz KAWAPHMHPVLGMT-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4Cl)C[C@@H]3C2)cn1 ZINC001238082442 1043522295 /nfs/dbraw/zinc/52/22/95/1043522295.db2.gz KAWAPHMHPVLGMT-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP C[C@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320457302 1045411511 /nfs/dbraw/zinc/41/15/11/1045411511.db2.gz XSXVNJWGMNQIQW-ZTFGCOKTSA-N 2 2 370.884 2.703 20 30 FFEDLP C[C@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320457302 1045411515 /nfs/dbraw/zinc/41/15/15/1045411515.db2.gz XSXVNJWGMNQIQW-ZTFGCOKTSA-N 2 2 370.884 2.703 20 30 FFEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001345431517 1052443905 /nfs/dbraw/zinc/44/39/05/1052443905.db2.gz WRLNQEJNXRXNNT-HXUWFJFHSA-N 2 2 361.449 2.769 20 30 FFEDLP C=C[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC001347045066 1053565839 /nfs/dbraw/zinc/56/58/39/1053565839.db2.gz WICIDKAMKYWTHB-NRFANRHFSA-N 2 2 355.526 2.975 20 30 FFEDLP C=C[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC001347045066 1053565855 /nfs/dbraw/zinc/56/58/55/1053565855.db2.gz WICIDKAMKYWTHB-NRFANRHFSA-N 2 2 355.526 2.975 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[NH+]2C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001515997656 1059923460 /nfs/dbraw/zinc/92/34/60/1059923460.db2.gz NWVKRRFOAPMDJU-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[NH+]2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001515997656 1059923473 /nfs/dbraw/zinc/92/34/73/1059923473.db2.gz NWVKRRFOAPMDJU-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001515997656 1059923488 /nfs/dbraw/zinc/92/34/88/1059923488.db2.gz NWVKRRFOAPMDJU-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001515997656 1059923498 /nfs/dbraw/zinc/92/34/98/1059923498.db2.gz NWVKRRFOAPMDJU-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP Cc1oc(NC(=O)C[NH+]2CCC([C@@H]3[NH2+]CC34CCC4)CC2)c(C#N)c1C ZINC001579927340 1078716403 /nfs/dbraw/zinc/71/64/03/1078716403.db2.gz PEHGNRZLMGIYEI-SFHVURJKSA-N 2 2 356.470 2.561 20 30 FFEDLP NC(=[NH+]OCc1noc(C2CC2)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000067099000 506757212 /nfs/dbraw/zinc/75/72/12/506757212.db2.gz AQDCINDBIDBOJF-UHFFFAOYSA-N 2 2 355.442 2.770 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000072803396 507855426 /nfs/dbraw/zinc/85/54/26/507855426.db2.gz PVMJEWVLZLBJRO-KYBDOYODSA-N 2 2 362.562 2.969 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000072803396 507855427 /nfs/dbraw/zinc/85/54/27/507855427.db2.gz PVMJEWVLZLBJRO-KYBDOYODSA-N 2 2 362.562 2.969 20 30 FFEDLP C=CC[C@@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000373515467 512372645 /nfs/dbraw/zinc/37/26/45/512372645.db2.gz YRRMLXPHZWBCRD-GHTZIAJQSA-N 2 2 355.526 2.973 20 30 FFEDLP C=CC[C@@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000373515467 512372649 /nfs/dbraw/zinc/37/26/49/512372649.db2.gz YRRMLXPHZWBCRD-GHTZIAJQSA-N 2 2 355.526 2.973 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243519 508081856 /nfs/dbraw/zinc/08/18/56/508081856.db2.gz VHOVIOBYTZVJMG-GNZRSQJKSA-N 2 2 357.502 2.839 20 30 FFEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1sc(C)nc1C ZINC000157962750 508638573 /nfs/dbraw/zinc/63/85/73/508638573.db2.gz HDMWEEPTLSYYMR-UHFFFAOYSA-N 2 2 363.556 2.545 20 30 FFEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1sc(C)nc1C ZINC000157962750 508638577 /nfs/dbraw/zinc/63/85/77/508638577.db2.gz HDMWEEPTLSYYMR-UHFFFAOYSA-N 2 2 363.556 2.545 20 30 FFEDLP CC[NH+]=C(NCCc1ccncc1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160018935 508926497 /nfs/dbraw/zinc/92/64/97/508926497.db2.gz VMZMUVYEFAJYAX-APWZRJJASA-N 2 2 354.502 2.678 20 30 FFEDLP CC[NH+]=C(NCc1ncc(CC)s1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160104911 508939036 /nfs/dbraw/zinc/93/90/36/508939036.db2.gz RNIARVQXMYYECZ-HOCLYGCPSA-N 2 2 360.531 2.951 20 30 FFEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182822928 509443515 /nfs/dbraw/zinc/44/35/15/509443515.db2.gz CHACUFXSAORQBC-UYAOXDASSA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182822928 509443520 /nfs/dbraw/zinc/44/35/20/509443520.db2.gz CHACUFXSAORQBC-UYAOXDASSA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182822928 509443525 /nfs/dbraw/zinc/44/35/25/509443525.db2.gz CHACUFXSAORQBC-UYAOXDASSA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182822928 509443528 /nfs/dbraw/zinc/44/35/28/509443528.db2.gz CHACUFXSAORQBC-UYAOXDASSA-N 2 2 354.498 2.717 20 30 FFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)[C@@H](C)C1 ZINC000245444229 509937829 /nfs/dbraw/zinc/93/78/29/509937829.db2.gz XWKLCHSPHLNEGM-DOTOQJQBSA-N 2 2 360.527 2.903 20 30 FFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)[C@@H](C)C1 ZINC000245444229 509937837 /nfs/dbraw/zinc/93/78/37/509937837.db2.gz XWKLCHSPHLNEGM-DOTOQJQBSA-N 2 2 360.527 2.903 20 30 FFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)[C@@H](C)C1 ZINC000245444229 509937847 /nfs/dbraw/zinc/93/78/47/509937847.db2.gz XWKLCHSPHLNEGM-DOTOQJQBSA-N 2 2 360.527 2.903 20 30 FFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)[C@@H](C)C1 ZINC000245444229 509937852 /nfs/dbraw/zinc/93/78/52/509937852.db2.gz XWKLCHSPHLNEGM-DOTOQJQBSA-N 2 2 360.527 2.903 20 30 FFEDLP C=CCOCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245623234 510044684 /nfs/dbraw/zinc/04/46/84/510044684.db2.gz BMHKPGDWAVEMTL-WOJBJXKFSA-N 2 2 365.562 2.765 20 30 FFEDLP C=CCOCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245623234 510044687 /nfs/dbraw/zinc/04/46/87/510044687.db2.gz BMHKPGDWAVEMTL-WOJBJXKFSA-N 2 2 365.562 2.765 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000269411331 510392853 /nfs/dbraw/zinc/39/28/53/510392853.db2.gz JHFNPGQNDIBNCS-CTNGQTDRSA-N 2 2 353.441 2.670 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000269411331 510392856 /nfs/dbraw/zinc/39/28/56/510392856.db2.gz JHFNPGQNDIBNCS-CTNGQTDRSA-N 2 2 353.441 2.670 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000181630680 510511922 /nfs/dbraw/zinc/51/19/22/510511922.db2.gz QDCBPSHRAXIBNK-UHFFFAOYSA-N 2 2 366.440 2.890 20 30 FFEDLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cc(C#N)n(C)c2)CCOCC1)c1ccccc1 ZINC000191153777 510526177 /nfs/dbraw/zinc/52/61/77/510526177.db2.gz CDNXZJNVZMNOOI-QGZVFWFLSA-N 2 2 352.482 2.886 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000263238821 510625679 /nfs/dbraw/zinc/62/56/79/510625679.db2.gz KKTLLCUERKBSAH-CHWSQXEVSA-N 2 2 368.909 2.963 20 30 FFEDLP Cc1nccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000330153220 510926286 /nfs/dbraw/zinc/92/62/86/510926286.db2.gz MOMLNDSTIRXSCG-MSOLQXFVSA-N 2 2 374.533 2.600 20 30 FFEDLP Cc1nccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000330153220 510926291 /nfs/dbraw/zinc/92/62/91/510926291.db2.gz MOMLNDSTIRXSCG-MSOLQXFVSA-N 2 2 374.533 2.600 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364694970 511025029 /nfs/dbraw/zinc/02/50/29/511025029.db2.gz IPAORGZPKSQRAM-IHPCNDPISA-N 2 2 358.530 2.819 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364694970 511025031 /nfs/dbraw/zinc/02/50/31/511025031.db2.gz IPAORGZPKSQRAM-IHPCNDPISA-N 2 2 358.530 2.819 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364694970 511025033 /nfs/dbraw/zinc/02/50/33/511025033.db2.gz IPAORGZPKSQRAM-IHPCNDPISA-N 2 2 358.530 2.819 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364694970 511025035 /nfs/dbraw/zinc/02/50/35/511025035.db2.gz IPAORGZPKSQRAM-IHPCNDPISA-N 2 2 358.530 2.819 20 30 FFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@@H]21 ZINC000279487142 511100475 /nfs/dbraw/zinc/10/04/75/511100475.db2.gz XQHHSFVTSNQDMX-QUCCMNQESA-N 2 2 364.497 2.775 20 30 FFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@@H]21 ZINC000279487142 511100482 /nfs/dbraw/zinc/10/04/82/511100482.db2.gz XQHHSFVTSNQDMX-QUCCMNQESA-N 2 2 364.497 2.775 20 30 FFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@@H]21 ZINC000279487142 511100486 /nfs/dbraw/zinc/10/04/86/511100486.db2.gz XQHHSFVTSNQDMX-QUCCMNQESA-N 2 2 364.497 2.775 20 30 FFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@@H]21 ZINC000279487142 511100491 /nfs/dbraw/zinc/10/04/91/511100491.db2.gz XQHHSFVTSNQDMX-QUCCMNQESA-N 2 2 364.497 2.775 20 30 FFEDLP CN(c1nc(C(F)(F)F)ccc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364898533 511142298 /nfs/dbraw/zinc/14/22/98/511142298.db2.gz DDNAVOGKKLKPAS-HNNXBMFYSA-N 2 2 367.419 2.577 20 30 FFEDLP CN(c1nc(C(F)(F)F)ccc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364898533 511142301 /nfs/dbraw/zinc/14/23/01/511142301.db2.gz DDNAVOGKKLKPAS-HNNXBMFYSA-N 2 2 367.419 2.577 20 30 FFEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656673 511211834 /nfs/dbraw/zinc/21/18/34/511211834.db2.gz RSNKTSZNRUQDAI-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656673 511211839 /nfs/dbraw/zinc/21/18/39/511211839.db2.gz RSNKTSZNRUQDAI-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656673 511211843 /nfs/dbraw/zinc/21/18/43/511211843.db2.gz RSNKTSZNRUQDAI-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656673 511211848 /nfs/dbraw/zinc/21/18/48/511211848.db2.gz RSNKTSZNRUQDAI-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000271874226 511354504 /nfs/dbraw/zinc/35/45/04/511354504.db2.gz NPXPDLDEKYFPBO-UHFFFAOYSA-N 2 2 353.422 2.692 20 30 FFEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)C(F)(F)F ZINC000271909158 511367307 /nfs/dbraw/zinc/36/73/07/511367307.db2.gz XMJRHGLFXAIIFR-DLBZAZTESA-N 2 2 355.404 2.814 20 30 FFEDLP CC1(C#N)CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000272565554 511498605 /nfs/dbraw/zinc/49/86/05/511498605.db2.gz MGUVPPYSCXSTKL-UHFFFAOYSA-N 2 2 372.538 2.800 20 30 FFEDLP Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000281422842 511842259 /nfs/dbraw/zinc/84/22/59/511842259.db2.gz YCHCZIFHPPXSHA-UXHICEINSA-N 2 2 372.513 2.869 20 30 FFEDLP Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000281422842 511842266 /nfs/dbraw/zinc/84/22/66/511842266.db2.gz YCHCZIFHPPXSHA-UXHICEINSA-N 2 2 372.513 2.869 20 30 FFEDLP COc1ccc(C#N)cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328621746 511896619 /nfs/dbraw/zinc/89/66/19/511896619.db2.gz ASMXBYHZBVUXTJ-LAUBAEHRSA-N 2 2 367.497 2.815 20 30 FFEDLP COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328621746 511896621 /nfs/dbraw/zinc/89/66/21/511896621.db2.gz ASMXBYHZBVUXTJ-LAUBAEHRSA-N 2 2 367.497 2.815 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328621746 511896626 /nfs/dbraw/zinc/89/66/26/511896626.db2.gz ASMXBYHZBVUXTJ-LAUBAEHRSA-N 2 2 367.497 2.815 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328621746 511896630 /nfs/dbraw/zinc/89/66/30/511896630.db2.gz ASMXBYHZBVUXTJ-LAUBAEHRSA-N 2 2 367.497 2.815 20 30 FFEDLP COc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328646682 511905603 /nfs/dbraw/zinc/90/56/03/511905603.db2.gz SUNSQMFPJCFMFZ-GHTZIAJQSA-N 2 2 367.497 2.815 20 30 FFEDLP COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328646682 511905608 /nfs/dbraw/zinc/90/56/08/511905608.db2.gz SUNSQMFPJCFMFZ-GHTZIAJQSA-N 2 2 367.497 2.815 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328646682 511905610 /nfs/dbraw/zinc/90/56/10/511905610.db2.gz SUNSQMFPJCFMFZ-GHTZIAJQSA-N 2 2 367.497 2.815 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328646682 511905613 /nfs/dbraw/zinc/90/56/13/511905613.db2.gz SUNSQMFPJCFMFZ-GHTZIAJQSA-N 2 2 367.497 2.815 20 30 FFEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000329463684 512051819 /nfs/dbraw/zinc/05/18/19/512051819.db2.gz QQGXZXKSZAQFEW-IBGZPJMESA-N 2 2 353.470 2.847 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(OC)c1 ZINC000374198096 512704897 /nfs/dbraw/zinc/70/48/97/512704897.db2.gz HAZZTRZFUOVCJI-GOSISDBHSA-N 2 2 371.481 2.766 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000428667968 513158855 /nfs/dbraw/zinc/15/88/55/513158855.db2.gz XTMIHSXHOUFTOJ-MRXNPFEDSA-N 2 2 351.454 2.575 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000428667968 513158863 /nfs/dbraw/zinc/15/88/63/513158863.db2.gz XTMIHSXHOUFTOJ-MRXNPFEDSA-N 2 2 351.454 2.575 20 30 FFEDLP C=CCn1c([C@H](C)CC)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000508490377 514796939 /nfs/dbraw/zinc/79/69/39/514796939.db2.gz QFLWQLJICMGLMJ-GOSISDBHSA-N 2 2 374.577 2.972 20 30 FFEDLP C=C(CC)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000459090588 515315602 /nfs/dbraw/zinc/31/56/02/515315602.db2.gz ZWGUZPKGOHPWNJ-OALUTQOASA-N 2 2 350.551 2.931 20 30 FFEDLP C=C(CC)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459090588 515315606 /nfs/dbraw/zinc/31/56/06/515315606.db2.gz ZWGUZPKGOHPWNJ-OALUTQOASA-N 2 2 350.551 2.931 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N[C@](C)(C#N)C3CC3)C2)s1 ZINC000518007891 516520405 /nfs/dbraw/zinc/52/04/05/516520405.db2.gz PCZLSHOFBDEPOB-OXJNMPFZSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N[C@](C)(C#N)C3CC3)C2)s1 ZINC000518007891 516520416 /nfs/dbraw/zinc/52/04/16/516520416.db2.gz PCZLSHOFBDEPOB-OXJNMPFZSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@](C)(C#N)C3CC3)C2)s1 ZINC000518007891 516520429 /nfs/dbraw/zinc/52/04/29/516520429.db2.gz PCZLSHOFBDEPOB-OXJNMPFZSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@](C)(C#N)C3CC3)C2)s1 ZINC000518007891 516520437 /nfs/dbraw/zinc/52/04/37/516520437.db2.gz PCZLSHOFBDEPOB-OXJNMPFZSA-N 2 2 374.554 2.619 20 30 FFEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000549164616 517432194 /nfs/dbraw/zinc/43/21/94/517432194.db2.gz FPUKVPIFYGCCEB-SFHVURJKSA-N 2 2 362.477 2.553 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000527050132 517472783 /nfs/dbraw/zinc/47/27/83/517472783.db2.gz BTEZSLIGZDZHKW-UZLBHIALSA-N 2 2 373.497 2.571 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000527050132 517472792 /nfs/dbraw/zinc/47/27/92/517472792.db2.gz BTEZSLIGZDZHKW-UZLBHIALSA-N 2 2 373.497 2.571 20 30 FFEDLP COc1ccccc1[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539508199 518084196 /nfs/dbraw/zinc/08/41/96/518084196.db2.gz VAXJYCRYYJLUOH-OAQYLSRUSA-N 2 2 365.477 2.854 20 30 FFEDLP C[C@H]1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000564211520 518352894 /nfs/dbraw/zinc/35/28/94/518352894.db2.gz LPZGLULCKFIIKV-OXJNMPFZSA-N 2 2 360.465 2.744 20 30 FFEDLP C[C@H]1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1Cc1ccccc1 ZINC000564211520 518352902 /nfs/dbraw/zinc/35/29/02/518352902.db2.gz LPZGLULCKFIIKV-OXJNMPFZSA-N 2 2 360.465 2.744 20 30 FFEDLP COc1cc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)ccc1C#N ZINC000572822712 518376793 /nfs/dbraw/zinc/37/67/93/518376793.db2.gz SFCYQFKGRZWITK-SFHVURJKSA-N 2 2 364.449 2.684 20 30 FFEDLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(CCC#N)CC3)CC2)c1 ZINC000577106652 518918213 /nfs/dbraw/zinc/91/82/13/518918213.db2.gz USRQUIANPUXEBL-UHFFFAOYSA-N 2 2 368.525 2.655 20 30 FFEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566429113 519488060 /nfs/dbraw/zinc/48/80/60/519488060.db2.gz PUBYQDUOEWOMTK-MAUKXSAKSA-N 2 2 362.905 2.875 20 30 FFEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000575120958 519510917 /nfs/dbraw/zinc/51/09/17/519510917.db2.gz TWPDMKXEXYTRAV-WBVHZDCISA-N 2 2 366.868 2.581 20 30 FFEDLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594442698 519969736 /nfs/dbraw/zinc/96/97/36/519969736.db2.gz HXDLQHQQUWMNOR-IEBWSBKVSA-N 2 2 372.513 2.529 20 30 FFEDLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594442698 519969741 /nfs/dbraw/zinc/96/97/41/519969741.db2.gz HXDLQHQQUWMNOR-IEBWSBKVSA-N 2 2 372.513 2.529 20 30 FFEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000609137180 520203913 /nfs/dbraw/zinc/20/39/13/520203913.db2.gz LOLOCGMIFKPDCT-OAQYLSRUSA-N 2 2 368.525 2.762 20 30 FFEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000609137180 520203920 /nfs/dbraw/zinc/20/39/20/520203920.db2.gz LOLOCGMIFKPDCT-OAQYLSRUSA-N 2 2 368.525 2.762 20 30 FFEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000609137179 520203953 /nfs/dbraw/zinc/20/39/53/520203953.db2.gz LOLOCGMIFKPDCT-NRFANRHFSA-N 2 2 368.525 2.762 20 30 FFEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000609137179 520203963 /nfs/dbraw/zinc/20/39/63/520203963.db2.gz LOLOCGMIFKPDCT-NRFANRHFSA-N 2 2 368.525 2.762 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CC(N)=O)CCCCC3)CC2)cc1 ZINC000595000523 520250937 /nfs/dbraw/zinc/25/09/37/520250937.db2.gz KIJFTIKRCHKHPC-UHFFFAOYSA-N 2 2 368.525 2.938 20 30 FFEDLP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCn4c[nH+]cc4C3)sc2C1 ZINC000595490987 520506477 /nfs/dbraw/zinc/50/64/77/520506477.db2.gz PLNBTIOBRHKWDQ-ZDUSSCGKSA-N 2 2 369.494 2.785 20 30 FFEDLP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCn4c[nH+]cc4C3)sc2C1 ZINC000595490987 520506483 /nfs/dbraw/zinc/50/64/83/520506483.db2.gz PLNBTIOBRHKWDQ-ZDUSSCGKSA-N 2 2 369.494 2.785 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552636 520547248 /nfs/dbraw/zinc/54/72/48/520547248.db2.gz YBEZLUIMIMGUIU-OAHLLOKOSA-N 2 2 365.481 2.768 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000604588136 520612252 /nfs/dbraw/zinc/61/22/52/520612252.db2.gz QSNDALBSNLOGSZ-UHFFFAOYSA-N 2 2 353.470 2.712 20 30 FFEDLP Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000596090397 520905450 /nfs/dbraw/zinc/90/54/50/520905450.db2.gz CYQURTMCEVBWQC-JKSUJKDBSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000596090397 520905458 /nfs/dbraw/zinc/90/54/58/520905458.db2.gz CYQURTMCEVBWQC-JKSUJKDBSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000596090397 520905468 /nfs/dbraw/zinc/90/54/68/520905468.db2.gz CYQURTMCEVBWQC-JKSUJKDBSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000596090397 520905478 /nfs/dbraw/zinc/90/54/78/520905478.db2.gz CYQURTMCEVBWQC-JKSUJKDBSA-N 3 2 366.513 2.559 20 30 FFEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(C#N)c1 ZINC000611387616 521131658 /nfs/dbraw/zinc/13/16/58/521131658.db2.gz QSJKOMWJKAZQDP-INIZCTEOSA-N 2 2 368.506 2.615 20 30 FFEDLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2CCC[C@H]21 ZINC000593724249 521176591 /nfs/dbraw/zinc/17/65/91/521176591.db2.gz BMUXBGPAEMBBPP-BHIFYINESA-N 3 2 352.526 2.985 20 30 FFEDLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2CCC[C@H]21 ZINC000593724249 521176598 /nfs/dbraw/zinc/17/65/98/521176598.db2.gz BMUXBGPAEMBBPP-BHIFYINESA-N 3 2 352.526 2.985 20 30 FFEDLP C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000602575661 521418286 /nfs/dbraw/zinc/41/82/86/521418286.db2.gz UXNOEMASMMDYFU-WMZOPIPTSA-N 2 2 357.502 2.733 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631065356 523349139 /nfs/dbraw/zinc/34/91/39/523349139.db2.gz TYRUZWVNPZTJGV-UHFFFAOYSA-N 3 2 373.541 2.528 20 30 FFEDLP C=CC(C)(C)CCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000637324228 523557096 /nfs/dbraw/zinc/55/70/96/523557096.db2.gz RKWZATGKCXDQBK-UHFFFAOYSA-N 2 2 350.551 2.790 20 30 FFEDLP C=CC(C)(C)CCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000637324228 523557102 /nfs/dbraw/zinc/55/71/02/523557102.db2.gz RKWZATGKCXDQBK-UHFFFAOYSA-N 2 2 350.551 2.790 20 30 FFEDLP CC[C@H](C)NC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000262363785 729664401 /nfs/dbraw/zinc/66/44/01/729664401.db2.gz JRNNTVNSJVQKII-NSHDSACASA-N 2 2 352.280 2.651 20 30 FFEDLP C[C@@H](NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1Cl ZINC000262503880 729667349 /nfs/dbraw/zinc/66/73/49/729667349.db2.gz AUFIMXXZICBVIZ-SNVBAGLBSA-N 2 2 369.300 2.958 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000303881596 729735086 /nfs/dbraw/zinc/73/50/86/729735086.db2.gz LAEAXARSRZQJHM-UHFFFAOYSA-N 2 2 360.483 2.550 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)c1 ZINC000303881596 729735088 /nfs/dbraw/zinc/73/50/88/729735088.db2.gz LAEAXARSRZQJHM-UHFFFAOYSA-N 2 2 360.483 2.550 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876894768 732293428 /nfs/dbraw/zinc/29/34/28/732293428.db2.gz XJQDSNVVXILQEB-KKUMJFAQSA-N 2 2 360.260 2.810 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876894768 732293430 /nfs/dbraw/zinc/29/34/30/732293430.db2.gz XJQDSNVVXILQEB-KKUMJFAQSA-N 2 2 360.260 2.810 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000730109758 734616473 /nfs/dbraw/zinc/61/64/73/734616473.db2.gz LHSRQUWKFYQZIX-UHFFFAOYSA-N 2 2 363.531 2.901 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974602473 972036454 /nfs/dbraw/zinc/03/64/54/972036454.db2.gz LOHJIYBYUAAKMD-QRVBRYPASA-N 2 2 370.541 2.947 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974602473 972036461 /nfs/dbraw/zinc/03/64/61/972036461.db2.gz LOHJIYBYUAAKMD-QRVBRYPASA-N 2 2 370.541 2.947 20 30 FFEDLP C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000660573067 972257382 /nfs/dbraw/zinc/25/73/82/972257382.db2.gz GAQVMKGWSQRKHH-YLJYHZDGSA-N 2 2 362.562 2.979 20 30 FFEDLP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000969687477 959765262 /nfs/dbraw/zinc/76/52/62/959765262.db2.gz CHOKLEVZZUNGAV-ZIFCJYIRSA-N 2 2 356.514 2.557 20 30 FFEDLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1 ZINC001104274024 961378731 /nfs/dbraw/zinc/37/87/31/961378731.db2.gz CTBPEMGILDTNSP-HUUCEWRRSA-N 2 2 371.510 2.550 20 30 FFEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1 ZINC001104274024 961378751 /nfs/dbraw/zinc/37/87/51/961378751.db2.gz CTBPEMGILDTNSP-HUUCEWRRSA-N 2 2 371.510 2.550 20 30 FFEDLP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486195 961679852 /nfs/dbraw/zinc/67/98/52/961679852.db2.gz DVHCFGBNRBDWPF-WFXMLNOXSA-N 2 2 358.530 2.926 20 30 FFEDLP C=CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087470686 965356788 /nfs/dbraw/zinc/35/67/88/965356788.db2.gz QKNRUQUXSADKRD-PCCBWWKXSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001087470686 965356801 /nfs/dbraw/zinc/35/68/01/965356801.db2.gz QKNRUQUXSADKRD-PCCBWWKXSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[NH+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087470686 965356806 /nfs/dbraw/zinc/35/68/06/965356806.db2.gz QKNRUQUXSADKRD-PCCBWWKXSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[NH+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087470686 965356821 /nfs/dbraw/zinc/35/68/21/965356821.db2.gz QKNRUQUXSADKRD-PCCBWWKXSA-N 2 2 371.525 2.640 20 30 FFEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1ccccc1 ZINC001211623700 968177921 /nfs/dbraw/zinc/17/79/21/968177921.db2.gz OSMLCUHGDSVZFE-GHTZIAJQSA-N 2 2 358.445 2.784 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176976712 1013819355 /nfs/dbraw/zinc/81/93/55/1013819355.db2.gz FTPJDEKVXIQEDS-BATSVXPKSA-N 2 2 371.529 2.919 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1 ZINC001211639805 969462580 /nfs/dbraw/zinc/46/25/80/969462580.db2.gz IHBRBCLKGUTEST-RBUKOAKNSA-N 2 2 352.482 2.513 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088770454 976073044 /nfs/dbraw/zinc/07/30/44/976073044.db2.gz PKEJGDVYCNQKBN-CZAAIQMYSA-N 2 2 366.509 2.512 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088770454 976073053 /nfs/dbraw/zinc/07/30/53/976073053.db2.gz PKEJGDVYCNQKBN-CZAAIQMYSA-N 2 2 366.509 2.512 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211707458 977316598 /nfs/dbraw/zinc/31/65/98/977316598.db2.gz UWOPLZYFMVGZJU-VQTJNVASSA-N 2 2 352.482 2.513 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087443490 977589440 /nfs/dbraw/zinc/58/94/40/977589440.db2.gz OMHQPQSJHAVNDT-GUDVDZBRSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087443490 977589448 /nfs/dbraw/zinc/58/94/48/977589448.db2.gz OMHQPQSJHAVNDT-GUDVDZBRSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443490 977589455 /nfs/dbraw/zinc/58/94/55/977589455.db2.gz OMHQPQSJHAVNDT-GUDVDZBRSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087443490 977589458 /nfs/dbraw/zinc/58/94/58/977589458.db2.gz OMHQPQSJHAVNDT-GUDVDZBRSA-N 2 2 361.917 2.665 20 30 FFEDLP Cc1cc[nH+]c(N2CCN(C(NCCc3ccco3)=[NH+]C(C)C)CC2)c1 ZINC000262647883 979482702 /nfs/dbraw/zinc/48/27/02/979482702.db2.gz IVMJZPLIQDFSNT-UHFFFAOYSA-N 2 2 355.486 2.702 20 30 FFEDLP CC[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160003798 979498120 /nfs/dbraw/zinc/49/81/20/979498120.db2.gz XGUIRSGCVFNOAR-UHOSZYNNSA-N 2 2 361.534 2.673 20 30 FFEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CCOCC1 ZINC000905574826 980467770 /nfs/dbraw/zinc/46/77/70/980467770.db2.gz CUTOWLCOODWWIH-IBGZPJMESA-N 2 2 359.514 2.558 20 30 FFEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CCOCC1 ZINC000905574826 980467774 /nfs/dbraw/zinc/46/77/74/980467774.db2.gz CUTOWLCOODWWIH-IBGZPJMESA-N 2 2 359.514 2.558 20 30 FFEDLP C[NH+]1CCC(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)([NH+]2CCCCC2)CC1 ZINC000906824004 981155672 /nfs/dbraw/zinc/15/56/72/981155672.db2.gz QUFSZKVEEPFENE-OBFZPWGMSA-N 2 2 372.557 2.773 20 30 FFEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544110 982393852 /nfs/dbraw/zinc/39/38/52/982393852.db2.gz ARZHSUCGMWRSIC-LMMKCTJWSA-N 2 2 354.498 2.678 20 30 FFEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001105544110 982393864 /nfs/dbraw/zinc/39/38/64/982393864.db2.gz ARZHSUCGMWRSIC-LMMKCTJWSA-N 2 2 354.498 2.678 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872019 985206103 /nfs/dbraw/zinc/20/61/03/985206103.db2.gz UWVZUQJRDYDDSA-YSHGAJCASA-N 2 2 361.917 2.663 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872019 985206112 /nfs/dbraw/zinc/20/61/12/985206112.db2.gz UWVZUQJRDYDDSA-YSHGAJCASA-N 2 2 361.917 2.663 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872019 985206118 /nfs/dbraw/zinc/20/61/18/985206118.db2.gz UWVZUQJRDYDDSA-YSHGAJCASA-N 2 2 361.917 2.663 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088872019 985206128 /nfs/dbraw/zinc/20/61/28/985206128.db2.gz UWVZUQJRDYDDSA-YSHGAJCASA-N 2 2 361.917 2.663 20 30 FFEDLP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004553098 989048205 /nfs/dbraw/zinc/04/82/05/989048205.db2.gz QNPKGZBRKTYHIY-QRVBRYPASA-N 2 2 356.514 2.803 20 30 FFEDLP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004553098 989048218 /nfs/dbraw/zinc/04/82/18/989048218.db2.gz QNPKGZBRKTYHIY-QRVBRYPASA-N 2 2 356.514 2.803 20 30 FFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106829757 989342357 /nfs/dbraw/zinc/34/23/57/989342357.db2.gz CICRXTVRCLQZBC-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)CC2 ZINC001035186002 990403693 /nfs/dbraw/zinc/40/36/93/990403693.db2.gz PHAFVIOEWVYGFB-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)CC2 ZINC001035186002 990403699 /nfs/dbraw/zinc/40/36/99/990403699.db2.gz PHAFVIOEWVYGFB-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)CC2 ZINC001035708301 990529649 /nfs/dbraw/zinc/52/96/49/990529649.db2.gz YZNMLPCQBNSWIT-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1c1ccc(F)cc1 ZINC001079152292 991817411 /nfs/dbraw/zinc/81/74/11/991817411.db2.gz FHFKJHCJUDOWSL-ZWKOTPCHSA-N 2 2 356.445 2.642 20 30 FFEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccccc1 ZINC001081154039 993704567 /nfs/dbraw/zinc/70/45/67/993704567.db2.gz SBARGRXDUYEWDY-FCHUYYIVSA-N 2 2 370.456 2.703 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001084975590 998452545 /nfs/dbraw/zinc/45/25/45/998452545.db2.gz KQZWLCTXHGMPNC-HLIPFELVSA-N 2 2 356.514 2.712 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001084975590 998452550 /nfs/dbraw/zinc/45/25/50/998452550.db2.gz KQZWLCTXHGMPNC-HLIPFELVSA-N 2 2 356.514 2.712 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001084975590 998452556 /nfs/dbraw/zinc/45/25/56/998452556.db2.gz KQZWLCTXHGMPNC-HLIPFELVSA-N 2 2 356.514 2.712 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001084975590 998452563 /nfs/dbraw/zinc/45/25/63/998452563.db2.gz KQZWLCTXHGMPNC-HLIPFELVSA-N 2 2 356.514 2.712 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21 ZINC001084986892 998559065 /nfs/dbraw/zinc/55/90/65/998559065.db2.gz BOGJASNUSABPJP-QAPCUYQASA-N 2 2 371.872 2.556 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21 ZINC001084986892 998559074 /nfs/dbraw/zinc/55/90/74/998559074.db2.gz BOGJASNUSABPJP-QAPCUYQASA-N 2 2 371.872 2.556 20 30 FFEDLP C=CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000734662645 999313351 /nfs/dbraw/zinc/31/33/51/999313351.db2.gz CIUIQXQGPRFIAJ-FQEVSTJZSA-N 2 2 371.529 2.557 20 30 FFEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000740898936 999690620 /nfs/dbraw/zinc/69/06/20/999690620.db2.gz HZBFVGHXVCRRNP-GGAORHGYSA-N 2 2 364.489 2.671 20 30 FFEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000740898936 999690622 /nfs/dbraw/zinc/69/06/22/999690622.db2.gz HZBFVGHXVCRRNP-GGAORHGYSA-N 2 2 364.489 2.671 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000741706678 999739464 /nfs/dbraw/zinc/73/94/64/999739464.db2.gz JYTSRYARDSBENH-NRFANRHFSA-N 2 2 365.477 2.625 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000741706678 999739465 /nfs/dbraw/zinc/73/94/65/999739465.db2.gz JYTSRYARDSBENH-NRFANRHFSA-N 2 2 365.477 2.625 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000741706678 999739466 /nfs/dbraw/zinc/73/94/66/999739466.db2.gz JYTSRYARDSBENH-NRFANRHFSA-N 2 2 365.477 2.625 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000741706678 999739468 /nfs/dbraw/zinc/73/94/68/999739468.db2.gz JYTSRYARDSBENH-NRFANRHFSA-N 2 2 365.477 2.625 20 30 FFEDLP Cc1[nH+]ccn1-c1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC001171274469 1000637360 /nfs/dbraw/zinc/63/73/60/1000637360.db2.gz JQASJOMOSBYDHA-UHFFFAOYSA-N 2 2 373.464 2.941 20 30 FFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn3cccc(C)c3[nH+]1)C2 ZINC001112545518 1001447551 /nfs/dbraw/zinc/44/75/51/1001447551.db2.gz ODEMVCNWUDJADA-AVRDEDQJSA-N 2 2 366.509 2.980 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCCC1 ZINC001095556406 1016752312 /nfs/dbraw/zinc/75/23/12/1016752312.db2.gz QDPZZLFIGKUHQU-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCCC1 ZINC001095556406 1016752322 /nfs/dbraw/zinc/75/23/22/1016752322.db2.gz QDPZZLFIGKUHQU-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001095556406 1016752334 /nfs/dbraw/zinc/75/23/34/1016752334.db2.gz QDPZZLFIGKUHQU-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCCCCC1 ZINC001095556406 1016752344 /nfs/dbraw/zinc/75/23/44/1016752344.db2.gz QDPZZLFIGKUHQU-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190229857 1007515037 /nfs/dbraw/zinc/51/50/37/1007515037.db2.gz PDLPRWZFYVOZHJ-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190229857 1007515050 /nfs/dbraw/zinc/51/50/50/1007515050.db2.gz PDLPRWZFYVOZHJ-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP Cn1ncc2cc(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)cnc21 ZINC000865616045 1010827524 /nfs/dbraw/zinc/82/75/24/1010827524.db2.gz FLNIFSFSSFIYRX-UHFFFAOYSA-N 2 2 360.465 2.594 20 30 FFEDLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001172590461 1011901376 /nfs/dbraw/zinc/90/13/76/1011901376.db2.gz CVOLAHQCVYOISQ-UYAOXDASSA-N 2 2 355.482 2.844 20 30 FFEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303876048 1012478961 /nfs/dbraw/zinc/47/89/61/1012478961.db2.gz DORKCFMCICDTQX-MAUKXSAKSA-N 2 2 372.538 2.787 20 30 FFEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303876048 1012478969 /nfs/dbraw/zinc/47/89/69/1012478969.db2.gz DORKCFMCICDTQX-MAUKXSAKSA-N 2 2 372.538 2.787 20 30 FFEDLP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cccc2C1 ZINC001051290327 1017268891 /nfs/dbraw/zinc/26/88/91/1017268891.db2.gz JLWUSWYUWKJKGN-RTBURBONSA-N 2 2 350.466 2.764 20 30 FFEDLP C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cccc2C1 ZINC001051290327 1017268902 /nfs/dbraw/zinc/26/89/02/1017268902.db2.gz JLWUSWYUWKJKGN-RTBURBONSA-N 2 2 350.466 2.764 20 30 FFEDLP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cccc2C1 ZINC001051290327 1017268913 /nfs/dbraw/zinc/26/89/13/1017268913.db2.gz JLWUSWYUWKJKGN-RTBURBONSA-N 2 2 350.466 2.764 20 30 FFEDLP C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cccc2C1 ZINC001051290327 1017268921 /nfs/dbraw/zinc/26/89/21/1017268921.db2.gz JLWUSWYUWKJKGN-RTBURBONSA-N 2 2 350.466 2.764 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001039376962 1022744739 /nfs/dbraw/zinc/74/47/39/1022744739.db2.gz UVMAAQUWJPDDLF-YSTOQKLRSA-N 2 2 368.525 2.795 20 30 FFEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001039376962 1022744759 /nfs/dbraw/zinc/74/47/59/1022744759.db2.gz UVMAAQUWJPDDLF-YSTOQKLRSA-N 2 2 368.525 2.795 20 30 FFEDLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413565 1025929180 /nfs/dbraw/zinc/92/91/80/1025929180.db2.gz LXDJIIWUPSTWJT-FUHIMQAGSA-N 2 2 365.481 2.590 20 30 FFEDLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413565 1025929189 /nfs/dbraw/zinc/92/91/89/1025929189.db2.gz LXDJIIWUPSTWJT-FUHIMQAGSA-N 2 2 365.481 2.590 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428681 1025961578 /nfs/dbraw/zinc/96/15/78/1025961578.db2.gz OFPUEDZKEPFGMN-GDBMZVCRSA-N 2 2 352.910 2.833 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428681 1025961586 /nfs/dbraw/zinc/96/15/86/1025961586.db2.gz OFPUEDZKEPFGMN-GDBMZVCRSA-N 2 2 352.910 2.833 20 30 FFEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000093079005 1027596345 /nfs/dbraw/zinc/59/63/45/1027596345.db2.gz UDOYADSJNIXOQS-INIZCTEOSA-N 2 2 352.438 2.703 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001112436966 1030806775 /nfs/dbraw/zinc/80/67/75/1030806775.db2.gz PZRQBNPDFVQLRC-LQWHRVPQSA-N 2 2 356.514 2.630 20 30 FFEDLP N#Cc1ccc2c(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c2c1 ZINC001142917150 1031050367 /nfs/dbraw/zinc/05/03/67/1031050367.db2.gz UKHHXRFICGWVCO-OALUTQOASA-N 2 2 357.461 2.998 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001228869242 1036373747 /nfs/dbraw/zinc/37/37/47/1036373747.db2.gz PVVLOPDNFDRRJL-RTBURBONSA-N 2 2 363.546 2.615 20 30 FFEDLP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1cccnc1 ZINC001230849833 1037375089 /nfs/dbraw/zinc/37/50/89/1037375089.db2.gz YHTAZBSJEMHKRC-RTBURBONSA-N 2 2 367.497 2.503 20 30 FFEDLP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1cccnc1 ZINC001230849833 1037375103 /nfs/dbraw/zinc/37/51/03/1037375103.db2.gz YHTAZBSJEMHKRC-RTBURBONSA-N 2 2 367.497 2.503 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OC(C)C)nc2)CC1 ZINC001231538306 1037664908 /nfs/dbraw/zinc/66/49/08/1037664908.db2.gz YLERNVBVQAERDP-UHFFFAOYSA-N 2 2 358.530 2.660 20 30 FFEDLP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1CC ZINC001278969628 1038636746 /nfs/dbraw/zinc/63/67/46/1038636746.db2.gz NJKVRFBRDQNTBV-VAMGGRTRSA-N 2 2 364.493 2.556 20 30 FFEDLP C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001247621151 1039838517 /nfs/dbraw/zinc/83/85/17/1039838517.db2.gz IHUOVSXBYZPSQB-SMNXXWJPSA-N 2 2 351.385 2.968 20 30 FFEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001253238562 1040061998 /nfs/dbraw/zinc/06/19/98/1040061998.db2.gz SGIFNYMOQVQRNW-GOSISDBHSA-N 2 2 372.517 2.616 20 30 FFEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001253238562 1040062011 /nfs/dbraw/zinc/06/20/11/1040062011.db2.gz SGIFNYMOQVQRNW-GOSISDBHSA-N 2 2 372.517 2.616 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC001254649970 1040857108 /nfs/dbraw/zinc/85/71/08/1040857108.db2.gz WSSLNMOTNGULAO-NXHRZFHOSA-N 2 2 362.518 2.742 20 30 FFEDLP CC[C@@H](CC#N)[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255172541 1041180834 /nfs/dbraw/zinc/18/08/34/1041180834.db2.gz POONEMNGTZRRJP-NRFANRHFSA-N 2 2 368.525 2.735 20 30 FFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216859182 1042147499 /nfs/dbraw/zinc/14/74/99/1042147499.db2.gz LNCKDFNKIHBVTQ-RLLQIKCJSA-N 2 2 358.530 2.867 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001263902157 1042521232 /nfs/dbraw/zinc/52/12/32/1042521232.db2.gz WSCDRCKJOQTYBV-FGTMMUONSA-N 2 2 358.530 2.991 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001278157768 1043409899 /nfs/dbraw/zinc/40/98/99/1043409899.db2.gz VNRJJMMNRIEFFF-RTBURBONSA-N 2 2 368.525 2.876 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001278157768 1043409902 /nfs/dbraw/zinc/40/99/02/1043409902.db2.gz VNRJJMMNRIEFFF-RTBURBONSA-N 2 2 368.525 2.876 20 30 FFEDLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCC#N)CC3)[C@@H]2C1 ZINC001280181411 1044361517 /nfs/dbraw/zinc/36/15/17/1044361517.db2.gz OGLIYYWAGHYDBR-GUDVDZBRSA-N 2 2 360.546 2.629 20 30 FFEDLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCC#N)CC3)[C@@H]2C1 ZINC001280181411 1044361531 /nfs/dbraw/zinc/36/15/31/1044361531.db2.gz OGLIYYWAGHYDBR-GUDVDZBRSA-N 2 2 360.546 2.629 20 30 FFEDLP CC#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001327498520 1047925729 /nfs/dbraw/zinc/92/57/29/1047925729.db2.gz ANEVPDIMQRZXHJ-WOJBJXKFSA-N 2 2 370.541 2.936 20 30 FFEDLP N#Cc1c(F)cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001357166033 1055802186 /nfs/dbraw/zinc/80/21/86/1055802186.db2.gz KAAMDCPBEJIHLT-HXUWFJFHSA-N 2 2 357.404 2.563 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CC[N@@H+]2C(C)(C)C)CC1=O ZINC000849174422 1056790079 /nfs/dbraw/zinc/79/00/79/1056790079.db2.gz QZPCTQJBFTUVMV-AWEZNQCLSA-N 2 2 367.497 2.519 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CC[N@H+]2C(C)(C)C)CC1=O ZINC000849174422 1056790088 /nfs/dbraw/zinc/79/00/88/1056790088.db2.gz QZPCTQJBFTUVMV-AWEZNQCLSA-N 2 2 367.497 2.519 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001515295943 1059510976 /nfs/dbraw/zinc/51/09/76/1059510976.db2.gz LXUUMDSESJZTDP-BZSNNMDCSA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001515295943 1059510989 /nfs/dbraw/zinc/51/09/89/1059510989.db2.gz LXUUMDSESJZTDP-BZSNNMDCSA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001515295943 1059511008 /nfs/dbraw/zinc/51/10/08/1059511008.db2.gz LXUUMDSESJZTDP-BZSNNMDCSA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001515295943 1059511027 /nfs/dbraw/zinc/51/10/27/1059511027.db2.gz LXUUMDSESJZTDP-BZSNNMDCSA-N 2 2 360.550 2.787 20 30 FFEDLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1Cl ZINC001567218505 1077006174 /nfs/dbraw/zinc/00/61/74/1077006174.db2.gz KWPFRXDYWMDHSY-USXIJHARSA-N 2 2 370.884 2.703 20 30 FFEDLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC#Cc1ccccc1Cl ZINC001567218505 1077006179 /nfs/dbraw/zinc/00/61/79/1077006179.db2.gz KWPFRXDYWMDHSY-USXIJHARSA-N 2 2 370.884 2.703 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000158775247 508751169 /nfs/dbraw/zinc/75/11/69/508751169.db2.gz YBRNIJYILWHHLF-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000158775247 508751172 /nfs/dbraw/zinc/75/11/72/508751172.db2.gz YBRNIJYILWHHLF-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158775247 508751175 /nfs/dbraw/zinc/75/11/75/508751175.db2.gz YBRNIJYILWHHLF-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158775247 508751180 /nfs/dbraw/zinc/75/11/80/508751180.db2.gz YBRNIJYILWHHLF-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP N#Cc1ccc(OCCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000119612421 508829407 /nfs/dbraw/zinc/82/94/07/508829407.db2.gz WMXQCDRWZGABAT-UHFFFAOYSA-N 2 2 357.377 2.573 20 30 FFEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1cccc(C(F)(F)F)c1 ZINC000266996073 509299031 /nfs/dbraw/zinc/29/90/31/509299031.db2.gz XONTZENAUJNMAL-UHFFFAOYSA-N 2 2 351.376 2.843 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000245721975 510108011 /nfs/dbraw/zinc/10/80/11/510108011.db2.gz UVZCYTFGEADCNA-IFIJOSMWSA-N 2 2 355.442 2.875 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000245721975 510108014 /nfs/dbraw/zinc/10/80/14/510108014.db2.gz UVZCYTFGEADCNA-IFIJOSMWSA-N 2 2 355.442 2.875 20 30 FFEDLP CC[NH+]=C(NCc1nccn1C(F)F)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261957069 510128706 /nfs/dbraw/zinc/12/87/06/510128706.db2.gz JBKVJEIROMFWMY-KGLIPLIRSA-N 2 2 365.432 2.523 20 30 FFEDLP C=C(C)[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(F)c(F)c1 ZINC000187375062 510227412 /nfs/dbraw/zinc/22/74/12/510227412.db2.gz GEXHVMZUXZOKTD-LJQANCHMSA-N 2 2 373.451 2.914 20 30 FFEDLP C=CCNC(=O)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000181129144 510284244 /nfs/dbraw/zinc/28/42/44/510284244.db2.gz XDESFDUOFPDVDR-UHFFFAOYSA-N 2 2 364.449 2.614 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000246427722 510484843 /nfs/dbraw/zinc/48/48/43/510484843.db2.gz NPZXAQZOGNWJEE-LAUBAEHRSA-N 2 2 350.466 2.984 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000246427722 510484846 /nfs/dbraw/zinc/48/48/46/510484846.db2.gz NPZXAQZOGNWJEE-LAUBAEHRSA-N 2 2 350.466 2.984 20 30 FFEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000195142029 510686246 /nfs/dbraw/zinc/68/62/46/510686246.db2.gz WFZRCWPGGCYNCL-UHFFFAOYSA-N 2 2 373.460 2.948 20 30 FFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000191502773 510692862 /nfs/dbraw/zinc/69/28/62/510692862.db2.gz KQFDTBBQBRMYJC-UHFFFAOYSA-N 2 2 374.510 2.503 20 30 FFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000191502773 510692870 /nfs/dbraw/zinc/69/28/70/510692870.db2.gz KQFDTBBQBRMYJC-UHFFFAOYSA-N 2 2 374.510 2.503 20 30 FFEDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246900055 510735832 /nfs/dbraw/zinc/73/58/32/510735832.db2.gz BJBVFRROGDJMMN-SUMWQHHRSA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246900055 510735842 /nfs/dbraw/zinc/73/58/42/510735842.db2.gz BJBVFRROGDJMMN-SUMWQHHRSA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277186235 510955867 /nfs/dbraw/zinc/95/58/67/510955867.db2.gz LONNBFKSUJTQBL-AEFFLSMTSA-N 2 2 360.477 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277186235 510955871 /nfs/dbraw/zinc/95/58/71/510955871.db2.gz LONNBFKSUJTQBL-AEFFLSMTSA-N 2 2 360.477 2.877 20 30 FFEDLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@@H](C)C1 ZINC000331313162 511060568 /nfs/dbraw/zinc/06/05/68/511060568.db2.gz HUNLTNSHDMJABK-STQMWFEESA-N 2 2 361.412 2.522 20 30 FFEDLP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@@H](C)C1 ZINC000331313162 511060575 /nfs/dbraw/zinc/06/05/75/511060575.db2.gz HUNLTNSHDMJABK-STQMWFEESA-N 2 2 361.412 2.522 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292830268 511737874 /nfs/dbraw/zinc/73/78/74/511737874.db2.gz ALRZJQLOGXVGPE-DYESRHJHSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292830268 511737879 /nfs/dbraw/zinc/73/78/79/511737879.db2.gz ALRZJQLOGXVGPE-DYESRHJHSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292830268 511737883 /nfs/dbraw/zinc/73/78/83/511737883.db2.gz ALRZJQLOGXVGPE-DYESRHJHSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292830268 511737888 /nfs/dbraw/zinc/73/78/88/511737888.db2.gz ALRZJQLOGXVGPE-DYESRHJHSA-N 2 2 372.488 2.879 20 30 FFEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@]12CCCO2 ZINC000274192755 511750055 /nfs/dbraw/zinc/75/00/55/511750055.db2.gz KHJWEGVKNOHNAT-BDTNDASRSA-N 2 2 369.509 2.839 20 30 FFEDLP C[NH+]1CCC(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328780772 511931032 /nfs/dbraw/zinc/93/10/32/511931032.db2.gz MOBYSTFYJAUKDL-KRWDZBQOSA-N 2 2 361.490 2.908 20 30 FFEDLP C[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328780772 511931041 /nfs/dbraw/zinc/93/10/41/511931041.db2.gz MOBYSTFYJAUKDL-KRWDZBQOSA-N 2 2 361.490 2.908 20 30 FFEDLP Cc1ccc([C@H](C)[C@@H](O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000329029825 511970953 /nfs/dbraw/zinc/97/09/53/511970953.db2.gz PGDUUEGENMYMET-LAUBAEHRSA-N 2 2 373.541 2.975 20 30 FFEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000329119267 511986704 /nfs/dbraw/zinc/98/67/04/511986704.db2.gz OZXFJMODKSJHDX-AQNXPRMDSA-N 2 2 357.498 2.768 20 30 FFEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000329119267 511986709 /nfs/dbraw/zinc/98/67/09/511986709.db2.gz OZXFJMODKSJHDX-AQNXPRMDSA-N 2 2 357.498 2.768 20 30 FFEDLP Cc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000329221362 512007254 /nfs/dbraw/zinc/00/72/54/512007254.db2.gz URRZOPMHKCXFGL-DLBZAZTESA-N 2 2 363.506 2.798 20 30 FFEDLP Cc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000329221362 512007259 /nfs/dbraw/zinc/00/72/59/512007259.db2.gz URRZOPMHKCXFGL-DLBZAZTESA-N 2 2 363.506 2.798 20 30 FFEDLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329484512 512055908 /nfs/dbraw/zinc/05/59/08/512055908.db2.gz SICJDVCTWVHPFM-FUHWJXTLSA-N 2 2 360.502 2.780 20 30 FFEDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329518282 512062131 /nfs/dbraw/zinc/06/21/31/512062131.db2.gz DZFQSQRYFVYXSG-IXDOHACOSA-N 2 2 373.545 2.826 20 30 FFEDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329518282 512062136 /nfs/dbraw/zinc/06/21/36/512062136.db2.gz DZFQSQRYFVYXSG-IXDOHACOSA-N 2 2 373.545 2.826 20 30 FFEDLP C=CCn1c([C@@H](C)CC)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421269543 513190761 /nfs/dbraw/zinc/19/07/61/513190761.db2.gz ZDFLUHQMGBFCJN-SFHVURJKSA-N 2 2 374.577 2.974 20 30 FFEDLP C=CCn1c([C@@H](C)CC)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421269543 513190767 /nfs/dbraw/zinc/19/07/67/513190767.db2.gz ZDFLUHQMGBFCJN-SFHVURJKSA-N 2 2 374.577 2.974 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540455 513818827 /nfs/dbraw/zinc/81/88/27/513818827.db2.gz WWEACOMQLHZQEJ-WIYYLYMNSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540455 513818835 /nfs/dbraw/zinc/81/88/35/513818835.db2.gz WWEACOMQLHZQEJ-WIYYLYMNSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540455 513818843 /nfs/dbraw/zinc/81/88/43/513818843.db2.gz WWEACOMQLHZQEJ-WIYYLYMNSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540455 513818849 /nfs/dbraw/zinc/81/88/49/513818849.db2.gz WWEACOMQLHZQEJ-WIYYLYMNSA-N 2 2 368.525 2.885 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000423191288 514075674 /nfs/dbraw/zinc/07/56/74/514075674.db2.gz SRFXWDQJFVVJMI-UHFFFAOYSA-N 3 2 363.509 2.687 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)C(C)C ZINC000423325940 514109906 /nfs/dbraw/zinc/10/99/06/514109906.db2.gz CGRBQFJDKSJAOL-FUHWJXTLSA-N 2 2 351.441 2.779 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000449505955 514232309 /nfs/dbraw/zinc/23/23/09/514232309.db2.gz KDGNCSAFBJXJGM-VXKWHMMOSA-N 2 2 353.510 2.909 20 30 FFEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C#N)o3)CC2)cc1 ZINC000449520533 514238194 /nfs/dbraw/zinc/23/81/94/514238194.db2.gz FGXOPPBFJUPLPZ-UHFFFAOYSA-N 2 2 352.438 2.864 20 30 FFEDLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424179859 514407542 /nfs/dbraw/zinc/40/75/42/514407542.db2.gz ZTYYKUXHTZGRON-YESZJQIVSA-N 2 2 366.868 2.752 20 30 FFEDLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424179859 514407549 /nfs/dbraw/zinc/40/75/49/514407549.db2.gz ZTYYKUXHTZGRON-YESZJQIVSA-N 2 2 366.868 2.752 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470979704 514705061 /nfs/dbraw/zinc/70/50/61/514705061.db2.gz NRTUEXLAJQBJJJ-QUCCMNQESA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470979704 514705072 /nfs/dbraw/zinc/70/50/72/514705072.db2.gz NRTUEXLAJQBJJJ-QUCCMNQESA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470979704 514705085 /nfs/dbraw/zinc/70/50/85/514705085.db2.gz NRTUEXLAJQBJJJ-QUCCMNQESA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470979704 514705093 /nfs/dbraw/zinc/70/50/93/514705093.db2.gz NRTUEXLAJQBJJJ-QUCCMNQESA-N 2 2 368.525 2.985 20 30 FFEDLP FC(F)C(F)(F)COCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463247053 515417773 /nfs/dbraw/zinc/41/77/73/515417773.db2.gz TZUPXXYKXPOQPX-UHFFFAOYSA-N 2 2 354.310 2.910 20 30 FFEDLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000459323574 515470305 /nfs/dbraw/zinc/47/03/05/515470305.db2.gz JPGUZKOGKSSABI-HZPDHXFCSA-N 2 2 372.469 2.788 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000551700102 516827808 /nfs/dbraw/zinc/82/78/08/516827808.db2.gz WABRXEPUKSWTNL-MYGLTJDJSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000551700102 516827815 /nfs/dbraw/zinc/82/78/15/516827815.db2.gz WABRXEPUKSWTNL-MYGLTJDJSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000551700102 516827821 /nfs/dbraw/zinc/82/78/21/516827821.db2.gz WABRXEPUKSWTNL-MYGLTJDJSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000551700102 516827829 /nfs/dbraw/zinc/82/78/29/516827829.db2.gz WABRXEPUKSWTNL-MYGLTJDJSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000519177188 516913474 /nfs/dbraw/zinc/91/34/74/516913474.db2.gz WNEDHBWOAAIQGO-HXUWFJFHSA-N 2 2 356.514 2.736 20 30 FFEDLP N#Cc1ccc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)nc1 ZINC000541535405 517102813 /nfs/dbraw/zinc/10/28/13/517102813.db2.gz CCOWKVPIKLUDPU-UHFFFAOYSA-N 2 2 350.451 2.523 20 30 FFEDLP CC1(C)C[NH+](CC#CC[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000581339143 518236140 /nfs/dbraw/zinc/23/61/40/518236140.db2.gz KWZWCAUUJSRJET-LWYYNNOASA-N 2 2 360.542 2.769 20 30 FFEDLP CC1(C)C[N@@H+](CC#CC[NH+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000581339143 518236154 /nfs/dbraw/zinc/23/61/54/518236154.db2.gz KWZWCAUUJSRJET-LWYYNNOASA-N 2 2 360.542 2.769 20 30 FFEDLP CC1(C)C[N@H+](CC#CC[NH+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000581339143 518236161 /nfs/dbraw/zinc/23/61/61/518236161.db2.gz KWZWCAUUJSRJET-LWYYNNOASA-N 2 2 360.542 2.769 20 30 FFEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000575999255 518382397 /nfs/dbraw/zinc/38/23/97/518382397.db2.gz CYJWJOSZHFADHU-ICSRJNTNSA-N 2 2 372.513 2.620 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567888646 518768653 /nfs/dbraw/zinc/76/86/53/518768653.db2.gz MQCSRHNQCACSRS-OXQOHEQNSA-N 2 2 360.465 2.601 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567888646 518768654 /nfs/dbraw/zinc/76/86/54/518768654.db2.gz MQCSRHNQCACSRS-OXQOHEQNSA-N 2 2 360.465 2.601 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579650484 518783208 /nfs/dbraw/zinc/78/32/08/518783208.db2.gz CJRKEUUOARWSPR-SFTDATJTSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579650484 518783214 /nfs/dbraw/zinc/78/32/14/518783214.db2.gz CJRKEUUOARWSPR-SFTDATJTSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579650484 518783221 /nfs/dbraw/zinc/78/32/21/518783221.db2.gz CJRKEUUOARWSPR-SFTDATJTSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579650484 518783224 /nfs/dbraw/zinc/78/32/24/518783224.db2.gz CJRKEUUOARWSPR-SFTDATJTSA-N 2 2 355.526 2.865 20 30 FFEDLP CC[C@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566429112 519488007 /nfs/dbraw/zinc/48/80/07/519488007.db2.gz PUBYQDUOEWOMTK-CRAIPNDOSA-N 2 2 362.905 2.875 20 30 FFEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000569323746 519491843 /nfs/dbraw/zinc/49/18/43/519491843.db2.gz NZLXQSRVMRNKTK-SFTDATJTSA-N 2 2 366.509 2.948 20 30 FFEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000569323746 519491849 /nfs/dbraw/zinc/49/18/49/519491849.db2.gz NZLXQSRVMRNKTK-SFTDATJTSA-N 2 2 366.509 2.948 20 30 FFEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000583938085 519508636 /nfs/dbraw/zinc/50/86/36/519508636.db2.gz LQOYGKGBLJWLIN-QFIPXVFZSA-N 2 2 364.493 2.649 20 30 FFEDLP COCc1cc(C#N)ccc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000603316188 520211640 /nfs/dbraw/zinc/21/16/40/520211640.db2.gz BITNSRUPENHEAI-UHFFFAOYSA-N 2 2 356.514 2.699 20 30 FFEDLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@H](O)COc1ccccc1C#N)[NH+](C)C ZINC000600733660 520433976 /nfs/dbraw/zinc/43/39/76/520433976.db2.gz LJKRGPDTRVJUIF-LZNRXBQRSA-N 2 2 367.493 2.887 20 30 FFEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000600736789 520435661 /nfs/dbraw/zinc/43/56/61/520435661.db2.gz SSSKMUNWGNWUSF-NHCUHLMSSA-N 2 2 371.525 2.558 20 30 FFEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000600736789 520435668 /nfs/dbraw/zinc/43/56/68/520435668.db2.gz SSSKMUNWGNWUSF-NHCUHLMSSA-N 2 2 371.525 2.558 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c(F)c1 ZINC000601106184 520638048 /nfs/dbraw/zinc/63/80/48/520638048.db2.gz UZNGNFGSMLOBRX-UHFFFAOYSA-N 2 2 369.440 2.698 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610945330 520915208 /nfs/dbraw/zinc/91/52/08/520915208.db2.gz XYTCIFFJIVFUER-SFANZJOMSA-N 2 2 357.502 2.839 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610945330 520915213 /nfs/dbraw/zinc/91/52/13/520915213.db2.gz XYTCIFFJIVFUER-SFANZJOMSA-N 2 2 357.502 2.839 20 30 FFEDLP C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601809794 520963171 /nfs/dbraw/zinc/96/31/71/520963171.db2.gz ZMPBEADMQNSUDQ-MRXNPFEDSA-N 2 2 363.465 2.522 20 30 FFEDLP N#CCCCC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000593942367 521305220 /nfs/dbraw/zinc/30/52/20/521305220.db2.gz HZIXLTMNZVSSBP-KRWDZBQOSA-N 2 2 355.442 2.653 20 30 FFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000597183959 521562844 /nfs/dbraw/zinc/56/28/44/521562844.db2.gz OOWWMEMIORRWQD-UHFFFAOYSA-N 2 2 364.478 2.831 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]ccc5ccc(C#N)cc54)C[C@@H]3C2)cn1 ZINC001164769928 721111013 /nfs/dbraw/zinc/11/10/13/721111013.db2.gz QHKWYBPTYMIMGD-PMACEKPBSA-N 2 2 372.476 2.798 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]ccc5ccc(C#N)cc54)C[C@@H]3C2)cn1 ZINC001164769928 721111019 /nfs/dbraw/zinc/11/10/19/721111019.db2.gz QHKWYBPTYMIMGD-PMACEKPBSA-N 2 2 372.476 2.798 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000730096811 734615027 /nfs/dbraw/zinc/61/50/27/734615027.db2.gz XTQIYPAFKBMZDO-IBGZPJMESA-N 2 2 359.901 2.518 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000730096811 734615029 /nfs/dbraw/zinc/61/50/29/734615029.db2.gz XTQIYPAFKBMZDO-IBGZPJMESA-N 2 2 359.901 2.518 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200081 745005697 /nfs/dbraw/zinc/00/56/97/745005697.db2.gz PXPGNAVNVCCERB-MDZRGWNJSA-N 2 2 362.905 2.591 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200081 745005703 /nfs/dbraw/zinc/00/57/03/745005703.db2.gz PXPGNAVNVCCERB-MDZRGWNJSA-N 2 2 362.905 2.591 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001112130287 964067871 /nfs/dbraw/zinc/06/78/71/964067871.db2.gz LGWQZSSMLNJDAF-CHWSQXEVSA-N 2 2 352.360 2.503 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1ccccc1 ZINC001211625649 968275167 /nfs/dbraw/zinc/27/51/67/968275167.db2.gz QHFHLUWOPXBUHJ-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)[C@@H]1CC ZINC001087607000 968340917 /nfs/dbraw/zinc/34/09/17/968340917.db2.gz FFCZDGBKDUKTAX-ZCNNSNEGSA-N 2 2 357.542 2.633 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)[C@@H]1CC ZINC001087607000 968340924 /nfs/dbraw/zinc/34/09/24/968340924.db2.gz FFCZDGBKDUKTAX-ZCNNSNEGSA-N 2 2 357.542 2.633 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1CC ZINC001087607000 968340932 /nfs/dbraw/zinc/34/09/32/968340932.db2.gz FFCZDGBKDUKTAX-ZCNNSNEGSA-N 2 2 357.542 2.633 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1CC ZINC001087607000 968340940 /nfs/dbraw/zinc/34/09/40/968340940.db2.gz FFCZDGBKDUKTAX-ZCNNSNEGSA-N 2 2 357.542 2.633 20 30 FFEDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3csc(C#N)c3)CC2)cc1 ZINC001177136814 1013856685 /nfs/dbraw/zinc/85/66/85/1013856685.db2.gz XMTADIRHQGTGLY-UHFFFAOYSA-N 2 2 370.522 2.930 20 30 FFEDLP C=CC[C@]1(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CCC[NH2+]1 ZINC000662718143 973755923 /nfs/dbraw/zinc/75/59/23/973755923.db2.gz GVJKGFKAUYUPOF-DYESRHJHSA-N 2 2 357.498 2.599 20 30 FFEDLP C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661379238 974195206 /nfs/dbraw/zinc/19/52/06/974195206.db2.gz WKRHQCDJTIUXOH-GOSISDBHSA-N 2 2 357.498 2.745 20 30 FFEDLP C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661379238 974195209 /nfs/dbraw/zinc/19/52/09/974195209.db2.gz WKRHQCDJTIUXOH-GOSISDBHSA-N 2 2 357.498 2.745 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001087435611 976968514 /nfs/dbraw/zinc/96/85/14/976968514.db2.gz XPQLFEZZNQIRSF-WOJBJXKFSA-N 2 2 365.477 2.562 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001087435611 976968525 /nfs/dbraw/zinc/96/85/25/976968525.db2.gz XPQLFEZZNQIRSF-WOJBJXKFSA-N 2 2 365.477 2.562 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c(C)cc(C#N)cc3C)CC2)CC1 ZINC000899167338 976978213 /nfs/dbraw/zinc/97/82/13/976978213.db2.gz LJSQRGLAVALPFZ-UHFFFAOYSA-N 2 2 368.525 2.807 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c(C)cc(C#N)cc3C)CC2)CC1 ZINC000899167338 976978224 /nfs/dbraw/zinc/97/82/24/976978224.db2.gz LJSQRGLAVALPFZ-UHFFFAOYSA-N 2 2 368.525 2.807 20 30 FFEDLP C=CCCn1cc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000653561492 1014377087 /nfs/dbraw/zinc/37/70/87/1014377087.db2.gz GVDYSSNCOIIIAC-UHFFFAOYSA-N 2 2 354.502 2.988 20 30 FFEDLP C=CCCn1cc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000653561492 1014377100 /nfs/dbraw/zinc/37/71/00/1014377100.db2.gz GVDYSSNCOIIIAC-UHFFFAOYSA-N 2 2 354.502 2.988 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCS[C@H](C(C)C)C1 ZINC000261748845 978067473 /nfs/dbraw/zinc/06/74/73/978067473.db2.gz LPOYCUJDBAMALD-KRWDZBQOSA-N 2 2 372.542 2.725 20 30 FFEDLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000877295641 1014539899 /nfs/dbraw/zinc/53/98/99/1014539899.db2.gz TWTCSOGRZOIASG-MOPGFXCFSA-N 2 2 360.477 2.832 20 30 FFEDLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000877295645 1014540547 /nfs/dbraw/zinc/54/05/47/1014540547.db2.gz TWTCSOGRZOIASG-RBUKOAKNSA-N 2 2 360.477 2.832 20 30 FFEDLP C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21)n1cc[nH+]c1 ZINC001076303536 979335748 /nfs/dbraw/zinc/33/57/48/979335748.db2.gz YPICPJFAVVMEIM-RLFYNMQTSA-N 2 2 369.494 2.500 20 30 FFEDLP C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21)n1cc[nH+]c1 ZINC001076303536 979335757 /nfs/dbraw/zinc/33/57/57/979335757.db2.gz YPICPJFAVVMEIM-RLFYNMQTSA-N 2 2 369.494 2.500 20 30 FFEDLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21)n1cc[nH+]c1 ZINC001076303537 979336042 /nfs/dbraw/zinc/33/60/42/979336042.db2.gz YPICPJFAVVMEIM-RVKKMQEKSA-N 2 2 369.494 2.500 20 30 FFEDLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21)n1cc[nH+]c1 ZINC001076303537 979336055 /nfs/dbraw/zinc/33/60/55/979336055.db2.gz YPICPJFAVVMEIM-RVKKMQEKSA-N 2 2 369.494 2.500 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC001088631562 982038100 /nfs/dbraw/zinc/03/81/00/982038100.db2.gz SMNZFZYUELXKOX-WTNAPCKOSA-N 2 2 365.521 2.741 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC001088631562 982038105 /nfs/dbraw/zinc/03/81/05/982038105.db2.gz SMNZFZYUELXKOX-WTNAPCKOSA-N 2 2 365.521 2.741 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC001088631562 982038116 /nfs/dbraw/zinc/03/81/16/982038116.db2.gz SMNZFZYUELXKOX-WTNAPCKOSA-N 2 2 365.521 2.741 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC001088631562 982038122 /nfs/dbraw/zinc/03/81/22/982038122.db2.gz SMNZFZYUELXKOX-WTNAPCKOSA-N 2 2 365.521 2.741 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc3ccccc3o2)[C@@H]1C ZINC001088631237 982046032 /nfs/dbraw/zinc/04/60/32/982046032.db2.gz ZZRXTIUAZPPTEF-UXPWSPDFSA-N 2 2 365.477 2.609 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)[C@@H]1C ZINC001088631237 982046036 /nfs/dbraw/zinc/04/60/36/982046036.db2.gz ZZRXTIUAZPPTEF-UXPWSPDFSA-N 2 2 365.477 2.609 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc3ccccc3o2)[C@@H]1C ZINC001088631237 982046048 /nfs/dbraw/zinc/04/60/48/982046048.db2.gz ZZRXTIUAZPPTEF-UXPWSPDFSA-N 2 2 365.477 2.609 20 30 FFEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088898714 985372594 /nfs/dbraw/zinc/37/25/94/985372594.db2.gz RXIKEYMUUKMWNS-JRGCBEDISA-N 2 2 368.525 2.900 20 30 FFEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088898714 985372607 /nfs/dbraw/zinc/37/26/07/985372607.db2.gz RXIKEYMUUKMWNS-JRGCBEDISA-N 2 2 368.525 2.900 20 30 FFEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088898714 985372612 /nfs/dbraw/zinc/37/26/12/985372612.db2.gz RXIKEYMUUKMWNS-JRGCBEDISA-N 2 2 368.525 2.900 20 30 FFEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088898714 985372625 /nfs/dbraw/zinc/37/26/25/985372625.db2.gz RXIKEYMUUKMWNS-JRGCBEDISA-N 2 2 368.525 2.900 20 30 FFEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC(C)(C)C1 ZINC001089389528 990260063 /nfs/dbraw/zinc/26/00/63/990260063.db2.gz SBSGZZAVTSDZOB-CEXWTWQISA-N 2 2 370.541 2.947 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC(C)(C)C1 ZINC001089389528 990260066 /nfs/dbraw/zinc/26/00/66/990260066.db2.gz SBSGZZAVTSDZOB-CEXWTWQISA-N 2 2 370.541 2.947 20 30 FFEDLP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485044716 991823259 /nfs/dbraw/zinc/82/32/59/991823259.db2.gz YNJHXKCFSRBWGT-ANTGDGSKSA-N 2 2 364.493 2.862 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079181320 991867521 /nfs/dbraw/zinc/86/75/21/991867521.db2.gz JELMFBDMJXSACV-ZWKOTPCHSA-N 2 2 356.445 2.642 20 30 FFEDLP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000879952188 1015716095 /nfs/dbraw/zinc/71/60/95/1015716095.db2.gz UWVRSMKFDXNKRU-LJQANCHMSA-N 2 2 357.498 2.638 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1ccccc1 ZINC001081133779 993690473 /nfs/dbraw/zinc/69/04/73/993690473.db2.gz FBCSMNQGKNDYSY-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001081229167 993767321 /nfs/dbraw/zinc/76/73/21/993767321.db2.gz KBBXINVFXIYLFI-ZWKOTPCHSA-N 2 2 358.873 2.528 20 30 FFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001109301944 1000261726 /nfs/dbraw/zinc/26/17/26/1000261726.db2.gz QZMZWPVAUHSNBS-UEDWAMCQSA-N 2 2 368.525 2.842 20 30 FFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001109301944 1000261731 /nfs/dbraw/zinc/26/17/31/1000261731.db2.gz QZMZWPVAUHSNBS-UEDWAMCQSA-N 2 2 368.525 2.842 20 30 FFEDLP C=CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000771767178 1001207511 /nfs/dbraw/zinc/20/75/11/1001207511.db2.gz WQHXIGAAZCCENG-PMACEKPBSA-N 2 2 371.529 2.509 20 30 FFEDLP C=CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000771767178 1001207516 /nfs/dbraw/zinc/20/75/16/1001207516.db2.gz WQHXIGAAZCCENG-PMACEKPBSA-N 2 2 371.529 2.509 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970158 1001212611 /nfs/dbraw/zinc/21/26/11/1001212611.db2.gz QESOSMQOJODBOJ-JSJNYSNDSA-N 2 2 365.481 2.957 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970158 1001212616 /nfs/dbraw/zinc/21/26/16/1001212616.db2.gz QESOSMQOJODBOJ-JSJNYSNDSA-N 2 2 365.481 2.957 20 30 FFEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001112556455 1001465874 /nfs/dbraw/zinc/46/58/74/1001465874.db2.gz UQTQYGRQJHQBHO-UGKGYDQZSA-N 2 2 362.477 2.728 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086595667 1002603474 /nfs/dbraw/zinc/60/34/74/1002603474.db2.gz NNKOQLGDKXINKI-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086595667 1002603477 /nfs/dbraw/zinc/60/34/77/1002603477.db2.gz NNKOQLGDKXINKI-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092305087 1002639624 /nfs/dbraw/zinc/63/96/24/1002639624.db2.gz ZTCLTSVTIWLFFJ-GGPKGHCWSA-N 2 2 361.917 2.822 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092305087 1002639635 /nfs/dbraw/zinc/63/96/35/1002639635.db2.gz ZTCLTSVTIWLFFJ-GGPKGHCWSA-N 2 2 361.917 2.822 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001186189849 1003214513 /nfs/dbraw/zinc/21/45/13/1003214513.db2.gz UUIDGFUOYWSWAQ-YLJYHZDGSA-N 2 2 370.472 2.889 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001186189849 1003214518 /nfs/dbraw/zinc/21/45/18/1003214518.db2.gz UUIDGFUOYWSWAQ-YLJYHZDGSA-N 2 2 370.472 2.889 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001186189849 1003214526 /nfs/dbraw/zinc/21/45/26/1003214526.db2.gz UUIDGFUOYWSWAQ-YLJYHZDGSA-N 2 2 370.472 2.889 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001186189849 1003214534 /nfs/dbraw/zinc/21/45/34/1003214534.db2.gz UUIDGFUOYWSWAQ-YLJYHZDGSA-N 2 2 370.472 2.889 20 30 FFEDLP C#C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568996 1004998978 /nfs/dbraw/zinc/99/89/78/1004998978.db2.gz UITWUPOLOCQXIR-XLIONFOSSA-N 2 2 373.928 2.938 20 30 FFEDLP CCOC(=O)C1=CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000858507323 1008371746 /nfs/dbraw/zinc/37/17/46/1008371746.db2.gz YWBQLWLSXDOIBF-FQEVSTJZSA-N 2 2 353.466 2.764 20 30 FFEDLP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001177419633 1008605363 /nfs/dbraw/zinc/60/53/63/1008605363.db2.gz FXUUQKICCUGFJH-RTBURBONSA-N 2 2 356.514 2.545 20 30 FFEDLP N#Cc1ccc(F)c(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000865478057 1010795515 /nfs/dbraw/zinc/79/55/15/1010795515.db2.gz QPQKAVIWJIUFLZ-UHFFFAOYSA-N 2 2 369.440 2.698 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110847110 1011214867 /nfs/dbraw/zinc/21/48/67/1011214867.db2.gz IHGMLTKLAQNNOV-ZACQAIPSSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110847110 1011214874 /nfs/dbraw/zinc/21/48/74/1011214874.db2.gz IHGMLTKLAQNNOV-ZACQAIPSSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC001094559157 1011296528 /nfs/dbraw/zinc/29/65/28/1011296528.db2.gz FWBBLOADOPHURR-TZIWHRDSSA-N 2 2 365.481 2.818 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC001094559157 1011296544 /nfs/dbraw/zinc/29/65/44/1011296544.db2.gz FWBBLOADOPHURR-TZIWHRDSSA-N 2 2 365.481 2.818 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046975453 1018821858 /nfs/dbraw/zinc/82/18/58/1018821858.db2.gz YEJCZYKPPYBHGF-ARFHVFGLSA-N 2 2 366.456 2.563 20 30 FFEDLP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046975453 1018821874 /nfs/dbraw/zinc/82/18/74/1018821874.db2.gz YEJCZYKPPYBHGF-ARFHVFGLSA-N 2 2 366.456 2.563 20 30 FFEDLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(C#N)ccn1 ZINC000902766253 1020461969 /nfs/dbraw/zinc/46/19/69/1020461969.db2.gz GPPHEYFRXOVRPM-QGZVFWFLSA-N 2 2 366.465 2.515 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001017565029 1022254074 /nfs/dbraw/zinc/25/40/74/1022254074.db2.gz YLAWECZRJSYWEW-YSTOQKLRSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001017565029 1022254087 /nfs/dbraw/zinc/25/40/87/1022254087.db2.gz YLAWECZRJSYWEW-YSTOQKLRSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001122529634 1023321633 /nfs/dbraw/zinc/32/16/33/1023321633.db2.gz JGQPFUHXYNULMM-QZTJIDSGSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001122529634 1023321636 /nfs/dbraw/zinc/32/16/36/1023321636.db2.gz JGQPFUHXYNULMM-QZTJIDSGSA-N 2 2 358.534 2.686 20 30 FFEDLP C#CCOc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000779225759 1023388597 /nfs/dbraw/zinc/38/85/97/1023388597.db2.gz WIPQEAOBAUUMPU-HSZRJFAPSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000779225759 1023388603 /nfs/dbraw/zinc/38/86/03/1023388603.db2.gz WIPQEAOBAUUMPU-HSZRJFAPSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000779225759 1023388610 /nfs/dbraw/zinc/38/86/10/1023388610.db2.gz WIPQEAOBAUUMPU-HSZRJFAPSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000779225759 1023388617 /nfs/dbraw/zinc/38/86/17/1023388617.db2.gz WIPQEAOBAUUMPU-HSZRJFAPSA-N 2 2 364.489 2.767 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001121519553 1023823275 /nfs/dbraw/zinc/82/32/75/1023823275.db2.gz QNPYWGYWESYCHK-IBGZPJMESA-N 2 2 372.561 2.762 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104161 1025430493 /nfs/dbraw/zinc/43/04/93/1025430493.db2.gz IMKVUEKBCRUBAR-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104161 1025430497 /nfs/dbraw/zinc/43/04/97/1025430497.db2.gz IMKVUEKBCRUBAR-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760370 1028153505 /nfs/dbraw/zinc/15/35/05/1028153505.db2.gz KONRRPHHOJWACW-MISYRCLQSA-N 2 2 358.530 2.725 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760370 1028153516 /nfs/dbraw/zinc/15/35/16/1028153516.db2.gz KONRRPHHOJWACW-MISYRCLQSA-N 2 2 358.530 2.725 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001112436967 1030808027 /nfs/dbraw/zinc/80/80/27/1030808027.db2.gz PZRQBNPDFVQLRC-WFXMLNOXSA-N 2 2 356.514 2.630 20 30 FFEDLP N#Cc1ccc(-c2csc(NC(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)n2)s1 ZINC001218787552 1033339547 /nfs/dbraw/zinc/33/95/47/1033339547.db2.gz GUDQQOIRDQXWBA-CYBMUJFWSA-N 2 2 369.475 2.954 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]21 ZINC001223822634 1033605811 /nfs/dbraw/zinc/60/58/11/1033605811.db2.gz INMXEYZFIYYXBU-XLIONFOSSA-N 2 2 365.481 2.770 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]21 ZINC001223822634 1033605818 /nfs/dbraw/zinc/60/58/18/1033605818.db2.gz INMXEYZFIYYXBU-XLIONFOSSA-N 2 2 365.481 2.770 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306139 1033838261 /nfs/dbraw/zinc/83/82/61/1033838261.db2.gz CTYAPYBXFUKAKP-MOPGFXCFSA-N 2 2 361.917 2.794 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306139 1033838276 /nfs/dbraw/zinc/83/82/76/1033838276.db2.gz CTYAPYBXFUKAKP-MOPGFXCFSA-N 2 2 361.917 2.794 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306139 1033838288 /nfs/dbraw/zinc/83/82/88/1033838288.db2.gz CTYAPYBXFUKAKP-MOPGFXCFSA-N 2 2 361.917 2.794 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)C[C@@H]21 ZINC001224306139 1033838297 /nfs/dbraw/zinc/83/82/97/1033838297.db2.gz CTYAPYBXFUKAKP-MOPGFXCFSA-N 2 2 361.917 2.794 20 30 FFEDLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001227663566 1035661764 /nfs/dbraw/zinc/66/17/64/1035661764.db2.gz YCAWHSIVKOFVQV-IAGOWNOFSA-N 2 2 371.510 2.503 20 30 FFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001233080813 1036329514 /nfs/dbraw/zinc/32/95/14/1036329514.db2.gz CWXCNMURWIKSEF-UHFFFAOYSA-N 2 2 368.525 2.631 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246308407 1039308464 /nfs/dbraw/zinc/30/84/64/1039308464.db2.gz REUDWCILTCMQDZ-TYPHKJRUSA-N 3 2 373.541 2.856 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246308407 1039308479 /nfs/dbraw/zinc/30/84/79/1039308479.db2.gz REUDWCILTCMQDZ-TYPHKJRUSA-N 3 2 373.541 2.856 20 30 FFEDLP N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)c1 ZINC001248156681 1040152712 /nfs/dbraw/zinc/15/27/12/1040152712.db2.gz ZWJSCXYSJVPNPI-GOSISDBHSA-N 2 2 370.416 2.906 20 30 FFEDLP CCc1cc(C#N)ccc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001248752268 1040396746 /nfs/dbraw/zinc/39/67/46/1040396746.db2.gz DXHZRKWMQFRUHZ-FQEVSTJZSA-N 2 2 369.509 2.970 20 30 FFEDLP CCc1cc(C#N)ccc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001248752268 1040396758 /nfs/dbraw/zinc/39/67/58/1040396758.db2.gz DXHZRKWMQFRUHZ-FQEVSTJZSA-N 2 2 369.509 2.970 20 30 FFEDLP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)cc3C#N)(C1)CCC2 ZINC001278750238 1040458378 /nfs/dbraw/zinc/45/83/78/1040458378.db2.gz WMTVSRXRJQCFJO-UXHICEINSA-N 2 2 361.461 2.842 20 30 FFEDLP COc1cccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC001250737346 1041336226 /nfs/dbraw/zinc/33/62/26/1041336226.db2.gz RJDZKFQVURISHS-QFIPXVFZSA-N 2 2 365.477 2.854 20 30 FFEDLP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)n1cc[nH+]c1 ZINC001263921604 1042533742 /nfs/dbraw/zinc/53/37/42/1042533742.db2.gz ZBWGFWOXMFEMAS-OWCLPIDISA-N 2 2 371.510 2.842 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264446758 1042674839 /nfs/dbraw/zinc/67/48/39/1042674839.db2.gz KHTUUPOIPWZDLR-ZWKOTPCHSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264446758 1042674841 /nfs/dbraw/zinc/67/48/41/1042674841.db2.gz KHTUUPOIPWZDLR-ZWKOTPCHSA-N 2 2 361.917 2.665 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001264596026 1042732608 /nfs/dbraw/zinc/73/26/08/1042732608.db2.gz FPLPIGHAVGESSS-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001264596026 1042732612 /nfs/dbraw/zinc/73/26/12/1042732612.db2.gz FPLPIGHAVGESSS-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP Cc1cc(N2CC[NH+](Cc3cn(C)c4ccc(C#N)cc34)CC2)nc(C)[nH+]1 ZINC001237470372 1043184642 /nfs/dbraw/zinc/18/46/42/1043184642.db2.gz INDOXQWILFTDRY-UHFFFAOYSA-N 2 2 360.465 2.779 20 30 FFEDLP CC(C)OCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280080195 1044181589 /nfs/dbraw/zinc/18/15/89/1044181589.db2.gz CTXRXNHRFFOESW-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP CC(C)OCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280080195 1044181595 /nfs/dbraw/zinc/18/15/95/1044181595.db2.gz CTXRXNHRFFOESW-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP CC(C)OCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280080195 1044181601 /nfs/dbraw/zinc/18/16/01/1044181601.db2.gz CTXRXNHRFFOESW-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP CC(C)OCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280080195 1044181606 /nfs/dbraw/zinc/18/16/06/1044181606.db2.gz CTXRXNHRFFOESW-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001343415233 1052216641 /nfs/dbraw/zinc/21/66/41/1052216641.db2.gz BICFLHZZTKFXCF-IBGZPJMESA-N 2 2 372.561 2.762 20 30 FFEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001338994556 1055997833 /nfs/dbraw/zinc/99/78/33/1055997833.db2.gz FUIIFPIQELOZLG-SJLPKXTDSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001338994556 1055997839 /nfs/dbraw/zinc/99/78/39/1055997839.db2.gz FUIIFPIQELOZLG-SJLPKXTDSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001338994556 1055997851 /nfs/dbraw/zinc/99/78/51/1055997851.db2.gz FUIIFPIQELOZLG-SJLPKXTDSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001338994556 1055997864 /nfs/dbraw/zinc/99/78/64/1055997864.db2.gz FUIIFPIQELOZLG-SJLPKXTDSA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001515298223 1059515166 /nfs/dbraw/zinc/51/51/66/1059515166.db2.gz XUISKPUXPAGKTQ-PKOBYXMFSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001515298223 1059515187 /nfs/dbraw/zinc/51/51/87/1059515187.db2.gz XUISKPUXPAGKTQ-PKOBYXMFSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001515298223 1059515212 /nfs/dbraw/zinc/51/52/12/1059515212.db2.gz XUISKPUXPAGKTQ-PKOBYXMFSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001515298223 1059515233 /nfs/dbraw/zinc/51/52/33/1059515233.db2.gz XUISKPUXPAGKTQ-PKOBYXMFSA-N 2 2 372.561 2.932 20 30 FFEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)o2)c1 ZINC001580074305 1078745629 /nfs/dbraw/zinc/74/56/29/1078745629.db2.gz JCHJGNSORGQMTQ-QZTJIDSGSA-N 2 2 351.454 2.962 20 30 FFEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]C3)o2)c1 ZINC001580074305 1078745631 /nfs/dbraw/zinc/74/56/31/1078745631.db2.gz JCHJGNSORGQMTQ-QZTJIDSGSA-N 2 2 351.454 2.962 20 30 FFEDLP Cc1cc(C#N)cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000332067143 258212583 /nfs/dbraw/zinc/21/25/83/258212583.db2.gz STTRXAHDDPYYJM-UHFFFAOYSA-N 2 2 355.486 2.547 20 30 FFEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324743 512351464 /nfs/dbraw/zinc/35/14/64/512351464.db2.gz FVJLHJBAIOJARJ-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324743 512351471 /nfs/dbraw/zinc/35/14/71/512351471.db2.gz FVJLHJBAIOJARJ-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324743 512351477 /nfs/dbraw/zinc/35/14/77/512351477.db2.gz FVJLHJBAIOJARJ-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324743 512351482 /nfs/dbraw/zinc/35/14/82/512351482.db2.gz FVJLHJBAIOJARJ-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C=CCc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc(OC)c1O ZINC000093017399 508114718 /nfs/dbraw/zinc/11/47/18/508114718.db2.gz AKXPLSYLQRJSAH-KRWDZBQOSA-N 2 2 360.498 2.674 20 30 FFEDLP C=CCc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc(OC)c1O ZINC000093017399 508114722 /nfs/dbraw/zinc/11/47/22/508114722.db2.gz AKXPLSYLQRJSAH-KRWDZBQOSA-N 2 2 360.498 2.674 20 30 FFEDLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@H]1CCOc2ccccc21 ZINC000083030470 508233832 /nfs/dbraw/zinc/23/38/32/508233832.db2.gz WTJALCNKCVQMLI-IBGZPJMESA-N 2 2 361.449 2.860 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918565 508575610 /nfs/dbraw/zinc/57/56/10/508575610.db2.gz QRVNRKHWGFCZAP-ZHALLVOQSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134918565 508575612 /nfs/dbraw/zinc/57/56/12/508575612.db2.gz QRVNRKHWGFCZAP-ZHALLVOQSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134918565 508575616 /nfs/dbraw/zinc/57/56/16/508575616.db2.gz QRVNRKHWGFCZAP-ZHALLVOQSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134918565 508575620 /nfs/dbraw/zinc/57/56/20/508575620.db2.gz QRVNRKHWGFCZAP-ZHALLVOQSA-N 2 2 358.530 2.666 20 30 FFEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117610376 508607424 /nfs/dbraw/zinc/60/74/24/508607424.db2.gz WRWRETLGEONDGL-UHFFFAOYSA-N 2 2 373.460 2.948 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150835122 508903854 /nfs/dbraw/zinc/90/38/54/508903854.db2.gz POAUVKASPQXCBR-RBUKOAKNSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150835122 508903856 /nfs/dbraw/zinc/90/38/56/508903856.db2.gz POAUVKASPQXCBR-RBUKOAKNSA-N 2 2 354.498 2.739 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247963734 509201041 /nfs/dbraw/zinc/20/10/41/509201041.db2.gz GMUZUMHQYKCUHV-PZJWPPBQSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247963734 509201047 /nfs/dbraw/zinc/20/10/47/509201047.db2.gz GMUZUMHQYKCUHV-PZJWPPBQSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247963734 509201049 /nfs/dbraw/zinc/20/10/49/509201049.db2.gz GMUZUMHQYKCUHV-PZJWPPBQSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247963734 509201052 /nfs/dbraw/zinc/20/10/52/509201052.db2.gz GMUZUMHQYKCUHV-PZJWPPBQSA-N 2 2 368.525 2.966 20 30 FFEDLP CCc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267034482 509317965 /nfs/dbraw/zinc/31/79/65/509317965.db2.gz WUXQBIZQZXTKIX-UHFFFAOYSA-N 2 2 354.454 2.586 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1OC ZINC000264114930 509336700 /nfs/dbraw/zinc/33/67/00/509336700.db2.gz SEMAEIKDNZVFKO-ZDUSSCGKSA-N 2 2 374.510 2.939 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1OC ZINC000264114930 509336707 /nfs/dbraw/zinc/33/67/07/509336707.db2.gz SEMAEIKDNZVFKO-ZDUSSCGKSA-N 2 2 374.510 2.939 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182816049 509440194 /nfs/dbraw/zinc/44/01/94/509440194.db2.gz TVXGOMPIZRRAQH-UYAOXDASSA-N 2 2 354.498 2.717 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182816049 509440202 /nfs/dbraw/zinc/44/02/02/509440202.db2.gz TVXGOMPIZRRAQH-UYAOXDASSA-N 2 2 354.498 2.717 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245531514 509985897 /nfs/dbraw/zinc/98/58/97/509985897.db2.gz TVXGOMPIZRRAQH-ICSRJNTNSA-N 2 2 354.498 2.717 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245531514 509985901 /nfs/dbraw/zinc/98/59/01/509985901.db2.gz TVXGOMPIZRRAQH-ICSRJNTNSA-N 2 2 354.498 2.717 20 30 FFEDLP CO[C@@H](C)c1noc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000177571598 510140665 /nfs/dbraw/zinc/14/06/65/510140665.db2.gz XASRYXVSDDDUJT-AWEZNQCLSA-N 2 2 373.457 2.600 20 30 FFEDLP C=C(C)[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(F)c(F)c1 ZINC000187375045 510226596 /nfs/dbraw/zinc/22/65/96/510226596.db2.gz GEXHVMZUXZOKTD-IBGZPJMESA-N 2 2 373.451 2.914 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646241 510276128 /nfs/dbraw/zinc/27/61/28/510276128.db2.gz FBDODOWLPGJVGS-IAGOWNOFSA-N 2 2 355.486 2.547 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646241 510276130 /nfs/dbraw/zinc/27/61/30/510276130.db2.gz FBDODOWLPGJVGS-IAGOWNOFSA-N 2 2 355.486 2.547 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(F)c1 ZINC000269426733 510400896 /nfs/dbraw/zinc/40/08/96/510400896.db2.gz NUXCUEFRKFNDMY-UHFFFAOYSA-N 2 2 369.440 2.698 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000270056032 510654428 /nfs/dbraw/zinc/65/44/28/510654428.db2.gz FSTTUJCHURVLFJ-LJQANCHMSA-N 2 2 364.493 2.681 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000178715431 510736210 /nfs/dbraw/zinc/73/62/10/510736210.db2.gz CFNCNQDHHCSVSD-GJZGRUSLSA-N 2 2 367.497 2.519 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)C ZINC000263818019 510849251 /nfs/dbraw/zinc/84/92/51/510849251.db2.gz IZZJYXGVTRLARB-GOSISDBHSA-N 2 2 359.518 2.997 20 30 FFEDLP Cc1nc2sccn2c1C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329997390 510897553 /nfs/dbraw/zinc/89/75/53/510897553.db2.gz QMNGKDCYVMNLIS-UHFFFAOYSA-N 2 2 361.515 2.719 20 30 FFEDLP Cc1nc2sccn2c1C[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329997390 510897557 /nfs/dbraw/zinc/89/75/57/510897557.db2.gz QMNGKDCYVMNLIS-UHFFFAOYSA-N 2 2 361.515 2.719 20 30 FFEDLP Cc1nc(CC2CC2)oc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000330027380 510903016 /nfs/dbraw/zinc/90/30/16/510903016.db2.gz MZSMBEZOTZHBRO-UHFFFAOYSA-N 2 2 360.502 2.799 20 30 FFEDLP Cc1nnccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000330085681 510913312 /nfs/dbraw/zinc/91/33/12/510913312.db2.gz CZNYHLMCSVMAND-RBUKOAKNSA-N 2 2 374.533 2.600 20 30 FFEDLP Cc1nnccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000330085681 510913317 /nfs/dbraw/zinc/91/33/17/510913317.db2.gz CZNYHLMCSVMAND-RBUKOAKNSA-N 2 2 374.533 2.600 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C1CC[NH+](CC(F)F)CC1)C(C)C ZINC000287571750 511052785 /nfs/dbraw/zinc/05/27/85/511052785.db2.gz NCBFPWLOYDPCRA-QGZVFWFLSA-N 2 2 357.489 2.778 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292100696 511465574 /nfs/dbraw/zinc/46/55/74/511465574.db2.gz HVOHTYVIOLVRIN-KNQAVFIVSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292100696 511465578 /nfs/dbraw/zinc/46/55/78/511465578.db2.gz HVOHTYVIOLVRIN-KNQAVFIVSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292100696 511465583 /nfs/dbraw/zinc/46/55/83/511465583.db2.gz HVOHTYVIOLVRIN-KNQAVFIVSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292100696 511465587 /nfs/dbraw/zinc/46/55/87/511465587.db2.gz HVOHTYVIOLVRIN-KNQAVFIVSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000281422837 511842354 /nfs/dbraw/zinc/84/23/54/511842354.db2.gz YCHCZIFHPPXSHA-PMACEKPBSA-N 2 2 372.513 2.869 20 30 FFEDLP Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000281422837 511842362 /nfs/dbraw/zinc/84/23/62/511842362.db2.gz YCHCZIFHPPXSHA-PMACEKPBSA-N 2 2 372.513 2.869 20 30 FFEDLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)[C@@H]2C1 ZINC000329227083 512009260 /nfs/dbraw/zinc/00/92/60/512009260.db2.gz AVVCQHRDUOCSGV-GDBMZVCRSA-N 2 2 363.531 2.701 20 30 FFEDLP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000329356696 512033875 /nfs/dbraw/zinc/03/38/75/512033875.db2.gz ZLVJGLOPXKTRAH-UHFFFAOYSA-N 2 2 358.486 2.509 20 30 FFEDLP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329404160 512040611 /nfs/dbraw/zinc/04/06/11/512040611.db2.gz WWFLHANZXCMQMB-OAHLLOKOSA-N 2 2 354.454 2.690 20 30 FFEDLP C[NH+]1CCC(CNC(=O)c2cn3ccccc3n2)([NH+]2CCCCC2)CC1 ZINC000329652938 512082748 /nfs/dbraw/zinc/08/27/48/512082748.db2.gz LCIKKIGGAIDIDO-UHFFFAOYSA-N 2 2 355.486 2.589 20 30 FFEDLP C=CCn1c(C2CCC2)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421273745 513193765 /nfs/dbraw/zinc/19/37/65/513193765.db2.gz JAEWHZDRLBOLCT-UHFFFAOYSA-N 2 2 372.561 2.728 20 30 FFEDLP C=CCn1c(C2CCC2)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421273745 513193770 /nfs/dbraw/zinc/19/37/70/513193770.db2.gz JAEWHZDRLBOLCT-UHFFFAOYSA-N 2 2 372.561 2.728 20 30 FFEDLP C[NH+](C)CCCN(CCC#N)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425180477 513440004 /nfs/dbraw/zinc/44/00/04/513440004.db2.gz SQPCFVQMVZGEEG-GOSISDBHSA-N 2 2 353.470 2.626 20 30 FFEDLP C=CCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000448392950 513748929 /nfs/dbraw/zinc/74/89/29/513748929.db2.gz ZYBWGHTUSPBQPX-RTBURBONSA-N 2 2 350.551 2.931 20 30 FFEDLP C=CCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448392950 513748932 /nfs/dbraw/zinc/74/89/32/513748932.db2.gz ZYBWGHTUSPBQPX-RTBURBONSA-N 2 2 350.551 2.931 20 30 FFEDLP N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000459360476 515499337 /nfs/dbraw/zinc/49/93/37/515499337.db2.gz OIWYRAMRDKMFGL-UHFFFAOYSA-N 2 2 358.442 2.543 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512428732 516274406 /nfs/dbraw/zinc/27/44/06/516274406.db2.gz YBJJGLNQZNMXAH-QHCPKHFHSA-N 2 2 360.505 2.950 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512428732 516274411 /nfs/dbraw/zinc/27/44/11/516274411.db2.gz YBJJGLNQZNMXAH-QHCPKHFHSA-N 2 2 360.505 2.950 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000519555415 517044546 /nfs/dbraw/zinc/04/45/46/517044546.db2.gz YXEHLFYWHNMYEG-ASPXRTSYSA-N 2 2 357.502 2.529 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000519555415 517044548 /nfs/dbraw/zinc/04/45/48/517044548.db2.gz YXEHLFYWHNMYEG-ASPXRTSYSA-N 2 2 357.502 2.529 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000516757289 517829823 /nfs/dbraw/zinc/82/98/23/517829823.db2.gz BZJAKPOPVNHJNA-UHFFFAOYSA-N 2 2 373.476 2.721 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000516757289 517829833 /nfs/dbraw/zinc/82/98/33/517829833.db2.gz BZJAKPOPVNHJNA-UHFFFAOYSA-N 2 2 373.476 2.721 20 30 FFEDLP CC[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(C#N)cc1 ZINC000567013030 518309265 /nfs/dbraw/zinc/30/92/65/518309265.db2.gz GUURFBIHPYMZGF-QZTJIDSGSA-N 2 2 351.454 2.524 20 30 FFEDLP C[NH+](C)CCN(Cc1[nH+]ccn1CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000578802138 518377975 /nfs/dbraw/zinc/37/79/75/518377975.db2.gz NVQJGSJCDYJMOT-UHFFFAOYSA-N 2 2 365.403 2.881 20 30 FFEDLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000600722811 520424057 /nfs/dbraw/zinc/42/40/57/520424057.db2.gz URBPLJBJEKZVBO-SFTDATJTSA-N 2 2 371.525 2.793 20 30 FFEDLP CN(c1nc(C(C)(C)C)ccc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613423569 520495291 /nfs/dbraw/zinc/49/52/91/520495291.db2.gz IIGLFRRIYTVRRM-SFHVURJKSA-N 2 2 355.530 2.855 20 30 FFEDLP CN(c1nc(C(C)(C)C)ccc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613423569 520495299 /nfs/dbraw/zinc/49/52/99/520495299.db2.gz IIGLFRRIYTVRRM-SFHVURJKSA-N 2 2 355.530 2.855 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552369 520546650 /nfs/dbraw/zinc/54/66/50/520546650.db2.gz UIFJCSQMOKNLAE-UHFFFAOYSA-N 2 2 353.470 2.580 20 30 FFEDLP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000610604061 520762472 /nfs/dbraw/zinc/76/24/72/520762472.db2.gz NSAQACJYROZBOT-SFTDATJTSA-N 2 2 366.509 2.501 20 30 FFEDLP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000610604061 520762479 /nfs/dbraw/zinc/76/24/79/520762479.db2.gz NSAQACJYROZBOT-SFTDATJTSA-N 2 2 366.509 2.501 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740927 521119163 /nfs/dbraw/zinc/11/91/63/521119163.db2.gz OJBPLDZHVPTAAG-CRAIPNDOSA-N 2 2 363.465 2.908 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740927 521119170 /nfs/dbraw/zinc/11/91/70/521119170.db2.gz OJBPLDZHVPTAAG-CRAIPNDOSA-N 2 2 363.465 2.908 20 30 FFEDLP N#CCCCC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000593942369 521305505 /nfs/dbraw/zinc/30/55/05/521305505.db2.gz HZIXLTMNZVSSBP-QGZVFWFLSA-N 2 2 355.442 2.653 20 30 FFEDLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602706308 521487129 /nfs/dbraw/zinc/48/71/29/521487129.db2.gz NSJUBQDNIHCDMG-JXFKEZNVSA-N 2 2 354.498 2.560 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000623427109 522013421 /nfs/dbraw/zinc/01/34/21/522013421.db2.gz MTPRLLQZCMIYKK-OAHLLOKOSA-N 2 2 368.905 2.971 20 30 FFEDLP [NH2+]=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCSCC1 ZINC000104166554 728501019 /nfs/dbraw/zinc/50/10/19/728501019.db2.gz CETSRTTZEDEHBB-MRXNPFEDSA-N 2 2 352.935 2.840 20 30 FFEDLP Cc1cc(Br)cn2cc(CCNC(=[NH2+])NCC(C)C)[nH+]c12 ZINC000262345882 729664112 /nfs/dbraw/zinc/66/41/12/729664112.db2.gz DRAJZZUSOGMBBZ-UHFFFAOYSA-N 2 2 352.280 2.508 20 30 FFEDLP C[C@@H]1CNC(NN=C2CC[N@H+](C)[C@@H](c3ccc(Br)cc3)C2)=[NH+]1 ZINC000863105611 730750395 /nfs/dbraw/zinc/75/03/95/730750395.db2.gz VXDOGIAEPMQAEW-IAQYHMDHSA-N 2 2 364.291 2.509 20 30 FFEDLP C[C@@H]1CNC(NN=C2CC[N@@H+](C)[C@@H](c3ccc(Br)cc3)C2)=[NH+]1 ZINC000863105611 730750397 /nfs/dbraw/zinc/75/03/97/730750397.db2.gz VXDOGIAEPMQAEW-IAQYHMDHSA-N 2 2 364.291 2.509 20 30 FFEDLP N#Cc1ccc(N2CCC([N@@H+]3CCc4sc(C[NH3+])nc4C3)CC2)cc1 ZINC000925751772 738527410 /nfs/dbraw/zinc/52/74/10/738527410.db2.gz PKIJHJZTVBOFSP-UHFFFAOYSA-N 2 2 353.495 2.501 20 30 FFEDLP N#Cc1ccc(N2CCC([N@H+]3CCc4sc(C[NH3+])nc4C3)CC2)cc1 ZINC000925751772 738527413 /nfs/dbraw/zinc/52/74/13/738527413.db2.gz PKIJHJZTVBOFSP-UHFFFAOYSA-N 2 2 353.495 2.501 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998126271 742034645 /nfs/dbraw/zinc/03/46/45/742034645.db2.gz NHPSESCYWIPFAU-GVDBMIGSSA-N 2 2 364.921 2.979 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998126271 742034650 /nfs/dbraw/zinc/03/46/50/742034650.db2.gz NHPSESCYWIPFAU-GVDBMIGSSA-N 2 2 364.921 2.979 20 30 FFEDLP C[NH+](C)C1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCCCC1 ZINC000328659326 960388402 /nfs/dbraw/zinc/38/84/02/960388402.db2.gz SNSBHKDAEOANRF-UHFFFAOYSA-N 2 2 361.534 2.920 20 30 FFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001104345446 963685940 /nfs/dbraw/zinc/68/59/40/963685940.db2.gz HSJNVHPABHFLNB-CZUORRHYSA-N 2 2 352.910 2.753 20 30 FFEDLP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261998449 965179596 /nfs/dbraw/zinc/17/95/96/965179596.db2.gz SYAMWGGPLGUABW-FKSLSLAPSA-N 2 2 371.529 2.689 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001211613284 967996355 /nfs/dbraw/zinc/99/63/55/967996355.db2.gz GHEMXLQFRPJTMV-VQTJNVASSA-N 2 2 352.482 2.893 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211613284 967996359 /nfs/dbraw/zinc/99/63/59/967996359.db2.gz GHEMXLQFRPJTMV-VQTJNVASSA-N 2 2 352.482 2.893 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075992867 976038601 /nfs/dbraw/zinc/03/86/01/976038601.db2.gz BFWOFDGRDDTPIX-PZJWPPBQSA-N 2 2 371.444 2.552 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075992867 976038618 /nfs/dbraw/zinc/03/86/18/976038618.db2.gz BFWOFDGRDDTPIX-PZJWPPBQSA-N 2 2 371.444 2.552 20 30 FFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000759977138 977391726 /nfs/dbraw/zinc/39/17/26/977391726.db2.gz OCBYTNIYYLHGHY-SJORKVTESA-N 2 2 363.465 2.640 20 30 FFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000759977138 977391734 /nfs/dbraw/zinc/39/17/34/977391734.db2.gz OCBYTNIYYLHGHY-SJORKVTESA-N 2 2 363.465 2.640 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001087454677 977767079 /nfs/dbraw/zinc/76/70/79/977767079.db2.gz COUMXXQTFUIHGR-NJDAHSKKSA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001087454677 977767083 /nfs/dbraw/zinc/76/70/83/977767083.db2.gz COUMXXQTFUIHGR-NJDAHSKKSA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001087454677 977767089 /nfs/dbraw/zinc/76/70/89/977767089.db2.gz COUMXXQTFUIHGR-NJDAHSKKSA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001087454677 977767094 /nfs/dbraw/zinc/76/70/94/977767094.db2.gz COUMXXQTFUIHGR-NJDAHSKKSA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)CC[C@@H]1c1ccc(F)cc1 ZINC001087465509 978329660 /nfs/dbraw/zinc/32/96/60/978329660.db2.gz RYGXJBQKQVCDCK-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC)CC[C@@H]1c1ccc(F)cc1 ZINC001087465509 978329667 /nfs/dbraw/zinc/32/96/67/978329667.db2.gz RYGXJBQKQVCDCK-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)CC[C@@H]1c1ccc(F)cc1 ZINC001087465509 978329673 /nfs/dbraw/zinc/32/96/73/978329673.db2.gz RYGXJBQKQVCDCK-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000877190731 1014504986 /nfs/dbraw/zinc/50/49/86/1014504986.db2.gz QTTJVORVOFMDGE-LJQANCHMSA-N 2 2 370.884 2.853 20 30 FFEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000877190731 1014504994 /nfs/dbraw/zinc/50/49/94/1014504994.db2.gz QTTJVORVOFMDGE-LJQANCHMSA-N 2 2 370.884 2.853 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088663102 982239528 /nfs/dbraw/zinc/23/95/28/982239528.db2.gz QRNNFRPKVLNVPJ-WBMJQRKESA-N 2 2 365.462 2.889 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088663102 982239538 /nfs/dbraw/zinc/23/95/38/982239538.db2.gz QRNNFRPKVLNVPJ-WBMJQRKESA-N 2 2 365.462 2.889 20 30 FFEDLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c[nH+]1 ZINC000898296181 982674585 /nfs/dbraw/zinc/67/45/85/982674585.db2.gz GPCFYSPZHWGXTE-UHFFFAOYSA-N 2 2 365.481 2.579 20 30 FFEDLP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004551014 989039965 /nfs/dbraw/zinc/03/99/65/989039965.db2.gz HCNMMNQJQBVIHF-QRVBRYPASA-N 2 2 356.514 2.803 20 30 FFEDLP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004551014 989039977 /nfs/dbraw/zinc/03/99/77/989039977.db2.gz HCNMMNQJQBVIHF-QRVBRYPASA-N 2 2 356.514 2.803 20 30 FFEDLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000879569369 1015590702 /nfs/dbraw/zinc/59/07/02/1015590702.db2.gz OBFFKPJPECFWSQ-WMLDXEAASA-N 2 2 372.538 2.853 20 30 FFEDLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000879569369 1015590712 /nfs/dbraw/zinc/59/07/12/1015590712.db2.gz OBFFKPJPECFWSQ-WMLDXEAASA-N 2 2 372.538 2.853 20 30 FFEDLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000879569369 1015590716 /nfs/dbraw/zinc/59/07/16/1015590716.db2.gz OBFFKPJPECFWSQ-WMLDXEAASA-N 2 2 372.538 2.853 20 30 FFEDLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000879569369 1015590725 /nfs/dbraw/zinc/59/07/25/1015590725.db2.gz OBFFKPJPECFWSQ-WMLDXEAASA-N 2 2 372.538 2.853 20 30 FFEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001080557448 993163730 /nfs/dbraw/zinc/16/37/30/993163730.db2.gz VJFBQEMAAZNASO-DUXKGJEZSA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001080557448 993163734 /nfs/dbraw/zinc/16/37/34/993163734.db2.gz VJFBQEMAAZNASO-DUXKGJEZSA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080557448 993163740 /nfs/dbraw/zinc/16/37/40/993163740.db2.gz VJFBQEMAAZNASO-DUXKGJEZSA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080557448 993163745 /nfs/dbraw/zinc/16/37/45/993163745.db2.gz VJFBQEMAAZNASO-DUXKGJEZSA-N 2 2 368.525 2.758 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1 ZINC001081219381 993732117 /nfs/dbraw/zinc/73/21/17/993732117.db2.gz ZFSBPLGQLIKQTN-FUHWJXTLSA-N 2 2 358.873 2.597 20 30 FFEDLP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001133399137 995492486 /nfs/dbraw/zinc/49/24/86/995492486.db2.gz DZKDCYVKZKBPPA-IAGOWNOFSA-N 2 2 358.873 2.971 20 30 FFEDLP C=CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001133399137 995492492 /nfs/dbraw/zinc/49/24/92/995492492.db2.gz DZKDCYVKZKBPPA-IAGOWNOFSA-N 2 2 358.873 2.971 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]21 ZINC001084943148 998236181 /nfs/dbraw/zinc/23/61/81/998236181.db2.gz KAWPWPOZLZBZIA-WTGUMLROSA-N 2 2 368.525 2.653 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]21 ZINC001084943148 998236185 /nfs/dbraw/zinc/23/61/85/998236185.db2.gz KAWPWPOZLZBZIA-WTGUMLROSA-N 2 2 368.525 2.653 20 30 FFEDLP C[NH+](C)Cc1cnc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000846106780 1000209281 /nfs/dbraw/zinc/20/92/81/1000209281.db2.gz JLQVLTHOAPQPPW-UHFFFAOYSA-N 2 2 369.538 2.831 20 30 FFEDLP COc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771563621 1001149907 /nfs/dbraw/zinc/14/99/07/1001149907.db2.gz NAGUMBSTFZCMDL-UHFFFAOYSA-N 2 2 369.425 2.801 20 30 FFEDLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183835361 1002405511 /nfs/dbraw/zinc/40/55/11/1002405511.db2.gz KYOKYFDXCGMAQP-SFTDATJTSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183835361 1002405512 /nfs/dbraw/zinc/40/55/12/1002405512.db2.gz KYOKYFDXCGMAQP-SFTDATJTSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183835361 1002405516 /nfs/dbraw/zinc/40/55/16/1002405516.db2.gz KYOKYFDXCGMAQP-SFTDATJTSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183835361 1002405521 /nfs/dbraw/zinc/40/55/21/1002405521.db2.gz KYOKYFDXCGMAQP-SFTDATJTSA-N 2 2 368.525 2.854 20 30 FFEDLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183838405 1002407337 /nfs/dbraw/zinc/40/73/37/1002407337.db2.gz GUMBXPMUGUOVBW-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183838405 1002407344 /nfs/dbraw/zinc/40/73/44/1002407344.db2.gz GUMBXPMUGUOVBW-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183838405 1002407353 /nfs/dbraw/zinc/40/73/53/1002407353.db2.gz GUMBXPMUGUOVBW-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183838405 1002407361 /nfs/dbraw/zinc/40/73/61/1002407361.db2.gz GUMBXPMUGUOVBW-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001086594613 1002573234 /nfs/dbraw/zinc/57/32/34/1002573234.db2.gz KGEPWKHRKKWDAL-RBUKOAKNSA-N 2 2 352.482 2.697 20 30 FFEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001086594613 1002573246 /nfs/dbraw/zinc/57/32/46/1002573246.db2.gz KGEPWKHRKKWDAL-RBUKOAKNSA-N 2 2 352.482 2.697 20 30 FFEDLP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1OC ZINC001198908104 1004790407 /nfs/dbraw/zinc/79/04/07/1004790407.db2.gz AVUHWJLAUVLQEL-KZNAEPCWSA-N 2 2 368.481 2.555 20 30 FFEDLP CCCCCCCC[N@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001201826408 1005276517 /nfs/dbraw/zinc/27/65/17/1005276517.db2.gz VVHASQLBFXORIQ-HXUWFJFHSA-N 2 2 361.578 2.923 20 30 FFEDLP CCCCCCCC[N@@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001201826408 1005276522 /nfs/dbraw/zinc/27/65/22/1005276522.db2.gz VVHASQLBFXORIQ-HXUWFJFHSA-N 2 2 361.578 2.923 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001489090337 1005417657 /nfs/dbraw/zinc/41/76/57/1005417657.db2.gz HSVABCQADABJEQ-WOJBJXKFSA-N 2 2 352.482 2.824 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001489090337 1005417658 /nfs/dbraw/zinc/41/76/58/1005417658.db2.gz HSVABCQADABJEQ-WOJBJXKFSA-N 2 2 352.482 2.824 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188381527 1006537891 /nfs/dbraw/zinc/53/78/91/1006537891.db2.gz CZZOPDZEGKTUFQ-CEXWTWQISA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188381527 1006537902 /nfs/dbraw/zinc/53/79/02/1006537902.db2.gz CZZOPDZEGKTUFQ-CEXWTWQISA-N 2 2 358.530 2.949 20 30 FFEDLP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000130778012 1006605617 /nfs/dbraw/zinc/60/56/17/1006605617.db2.gz QVYRGAHHCYCTOX-RXVVDRJESA-N 2 2 373.545 2.547 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001189640090 1007176535 /nfs/dbraw/zinc/17/65/35/1007176535.db2.gz IMIXVHHUCFDIAE-FUHIMQAGSA-N 2 2 365.481 2.768 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001189640090 1007176542 /nfs/dbraw/zinc/17/65/42/1007176542.db2.gz IMIXVHHUCFDIAE-FUHIMQAGSA-N 2 2 365.481 2.768 20 30 FFEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819184180 1008060364 /nfs/dbraw/zinc/06/03/64/1008060364.db2.gz WOJLKCYDUMWGGG-HRAATJIYSA-N 2 2 350.466 2.802 20 30 FFEDLP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001178513642 1009013699 /nfs/dbraw/zinc/01/36/99/1009013699.db2.gz YFWQNDWBOSAJRI-RTBURBONSA-N 2 2 358.530 2.996 20 30 FFEDLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001110161704 1011326129 /nfs/dbraw/zinc/32/61/29/1011326129.db2.gz QFWYALRHZWEPPA-AABGKKOBSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001110161704 1011326140 /nfs/dbraw/zinc/32/61/40/1011326140.db2.gz QFWYALRHZWEPPA-AABGKKOBSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110161704 1011326167 /nfs/dbraw/zinc/32/61/67/1011326167.db2.gz QFWYALRHZWEPPA-AABGKKOBSA-N 2 2 373.928 2.753 20 30 FFEDLP CC[NH+](CC)C1CCC([NH2+][C@@H](Cc2ccc(C#N)cc2)C(=O)OC)CC1 ZINC001173108632 1012255781 /nfs/dbraw/zinc/25/57/81/1012255781.db2.gz QTKZJFRUAUCKBB-MHJFOBGBSA-N 2 2 357.498 2.885 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000303881370 1012498426 /nfs/dbraw/zinc/49/84/26/1012498426.db2.gz KVTJVGXCVNPNFG-UHFFFAOYSA-N 2 2 351.410 2.816 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097859504 1018040561 /nfs/dbraw/zinc/04/05/61/1018040561.db2.gz PLMOEZFMPRFLNV-QRVBRYPASA-N 2 2 361.917 2.878 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001097859504 1018040574 /nfs/dbraw/zinc/04/05/74/1018040574.db2.gz PLMOEZFMPRFLNV-QRVBRYPASA-N 2 2 361.917 2.878 20 30 FFEDLP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]1C[NH2+]CCC2 ZINC001222141957 1032782880 /nfs/dbraw/zinc/78/28/80/1032782880.db2.gz UGXGKUVONRTHFE-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]1C[NH2+]CCC2 ZINC001222141957 1032782890 /nfs/dbraw/zinc/78/28/90/1032782890.db2.gz UGXGKUVONRTHFE-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020693 1019948510 /nfs/dbraw/zinc/94/85/10/1019948510.db2.gz PLMOEZFMPRFLNV-QYZOEREBSA-N 2 2 361.917 2.878 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001096020693 1019948513 /nfs/dbraw/zinc/94/85/13/1019948513.db2.gz PLMOEZFMPRFLNV-QYZOEREBSA-N 2 2 361.917 2.878 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001071069834 1020175432 /nfs/dbraw/zinc/17/54/32/1020175432.db2.gz DTPCQXONKGFXQR-XLIONFOSSA-N 2 2 368.481 2.510 20 30 FFEDLP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC001118992049 1022512375 /nfs/dbraw/zinc/51/23/75/1022512375.db2.gz XBZYTYJFPVYKBL-INIZCTEOSA-N 2 2 350.466 2.866 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001122530013 1023322177 /nfs/dbraw/zinc/32/21/77/1023322177.db2.gz VQSBRCWNMHXKIH-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001122530013 1023322186 /nfs/dbraw/zinc/32/21/86/1023322186.db2.gz VQSBRCWNMHXKIH-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001122530013 1023322194 /nfs/dbraw/zinc/32/21/94/1023322194.db2.gz VQSBRCWNMHXKIH-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001122530013 1023322202 /nfs/dbraw/zinc/32/22/02/1023322202.db2.gz VQSBRCWNMHXKIH-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C#C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000838595141 1026427997 /nfs/dbraw/zinc/42/79/97/1026427997.db2.gz GSTCBEVSNFVWDI-UFYCRDLUSA-N 2 2 362.562 2.623 20 30 FFEDLP C#C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000838595141 1026427999 /nfs/dbraw/zinc/42/79/99/1026427999.db2.gz GSTCBEVSNFVWDI-UFYCRDLUSA-N 2 2 362.562 2.623 20 30 FFEDLP COC(=O)C1(C#N)CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000839612734 1026759005 /nfs/dbraw/zinc/75/90/05/1026759005.db2.gz DHIKGJIVGBWLDO-UHFFFAOYSA-N 2 2 355.482 2.951 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157746329 1029654809 /nfs/dbraw/zinc/65/48/09/1029654809.db2.gz QBGBYPLEVQDSHJ-CTNGQTDRSA-N 2 2 372.488 2.592 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157746329 1029654812 /nfs/dbraw/zinc/65/48/12/1029654812.db2.gz QBGBYPLEVQDSHJ-CTNGQTDRSA-N 2 2 372.488 2.592 20 30 FFEDLP Cc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(C#C[Si](C)(C)C)c1 ZINC001158259895 1029777010 /nfs/dbraw/zinc/77/70/10/1029777010.db2.gz BAKZGVOLZUAYHJ-SFHVURJKSA-N 2 2 356.590 2.621 20 30 FFEDLP Cc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(C#C[Si](C)(C)C)c1 ZINC001158259895 1029777017 /nfs/dbraw/zinc/77/70/17/1029777017.db2.gz BAKZGVOLZUAYHJ-SFHVURJKSA-N 2 2 356.590 2.621 20 30 FFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112171422 1030142109 /nfs/dbraw/zinc/14/21/09/1030142109.db2.gz IHRKSTLTSQVABV-HUUCEWRRSA-N 2 2 358.408 2.678 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001112177192 1030152792 /nfs/dbraw/zinc/15/27/92/1030152792.db2.gz WSCBOUHAYPEXON-BPLDGKMQSA-N 2 2 358.408 2.533 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112177192 1030152797 /nfs/dbraw/zinc/15/27/97/1030152797.db2.gz WSCBOUHAYPEXON-BPLDGKMQSA-N 2 2 358.408 2.533 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112198946 1030218147 /nfs/dbraw/zinc/21/81/47/1030218147.db2.gz DHUZIXKMSRFRAV-UXIGCNINSA-N 2 2 358.408 2.594 20 30 FFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001112438625 1030811499 /nfs/dbraw/zinc/81/14/99/1030811499.db2.gz IFBWIQALPMCPJG-WWMYMODYSA-N 2 2 356.514 2.617 20 30 FFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001112438625 1030811518 /nfs/dbraw/zinc/81/15/18/1030811518.db2.gz IFBWIQALPMCPJG-WWMYMODYSA-N 2 2 356.514 2.617 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001205325775 1031671931 /nfs/dbraw/zinc/67/19/31/1031671931.db2.gz HLCCRIPONMNUEO-VQTJNVASSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cccc(F)c1 ZINC001205422725 1031734752 /nfs/dbraw/zinc/73/47/52/1031734752.db2.gz PNLYDBZCNIRGBJ-RBUKOAKNSA-N 2 2 370.472 2.652 20 30 FFEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001205528389 1031813435 /nfs/dbraw/zinc/81/34/35/1031813435.db2.gz IXNQZBCUDHVEFK-UHFFFAOYSA-N 2 2 365.547 2.922 20 30 FFEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC001205528389 1031813444 /nfs/dbraw/zinc/81/34/44/1031813444.db2.gz IXNQZBCUDHVEFK-UHFFFAOYSA-N 2 2 365.547 2.922 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)cc1F ZINC001225936580 1034459487 /nfs/dbraw/zinc/45/94/87/1034459487.db2.gz RUSJVCQZZBAFSW-QZTJIDSGSA-N 2 2 369.444 2.570 20 30 FFEDLP C=CCc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)c1O ZINC001138627155 1034477305 /nfs/dbraw/zinc/47/73/05/1034477305.db2.gz YFYMNYDBCZSGIG-JOCHJYFZSA-N 2 2 374.525 2.682 20 30 FFEDLP C=CCc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CCOC)C3)c1O ZINC001138627155 1034477318 /nfs/dbraw/zinc/47/73/18/1034477318.db2.gz YFYMNYDBCZSGIG-JOCHJYFZSA-N 2 2 374.525 2.682 20 30 FFEDLP C=CCc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)c1O ZINC001138627155 1034477323 /nfs/dbraw/zinc/47/73/23/1034477323.db2.gz YFYMNYDBCZSGIG-JOCHJYFZSA-N 2 2 374.525 2.682 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(C)nc3cc(C)ccn32)CC1 ZINC001139679034 1035195978 /nfs/dbraw/zinc/19/59/78/1035195978.db2.gz JAGIDLFRUKASLB-UHFFFAOYSA-N 2 2 367.541 2.743 20 30 FFEDLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)n1)CC2 ZINC001232924130 1036160511 /nfs/dbraw/zinc/16/05/11/1036160511.db2.gz QVXPAMKROQDNKH-IBGZPJMESA-N 2 2 366.465 2.802 20 30 FFEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229038575 1036469886 /nfs/dbraw/zinc/46/98/86/1036469886.db2.gz WUSPGVREOWTKHN-CWFSZBLJSA-N 2 2 365.481 2.677 20 30 FFEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229038575 1036469895 /nfs/dbraw/zinc/46/98/95/1036469895.db2.gz WUSPGVREOWTKHN-CWFSZBLJSA-N 2 2 365.481 2.677 20 30 FFEDLP C=CCOc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](CCOC)C3)c1 ZINC001231622232 1037742920 /nfs/dbraw/zinc/74/29/20/1037742920.db2.gz TZHRJDUMNCINNZ-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1cccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](CCOC)C3)c1 ZINC001231622232 1037742931 /nfs/dbraw/zinc/74/29/31/1037742931.db2.gz TZHRJDUMNCINNZ-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1cccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)c1 ZINC001231622232 1037742945 /nfs/dbraw/zinc/74/29/45/1037742945.db2.gz TZHRJDUMNCINNZ-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)c1 ZINC001231622232 1037742953 /nfs/dbraw/zinc/74/29/53/1037742953.db2.gz TZHRJDUMNCINNZ-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCN(CC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1)C(=O)OCC ZINC001209018038 1038634509 /nfs/dbraw/zinc/63/45/09/1038634509.db2.gz AEKGHSHRWYIZQI-CALCHBBNSA-N 2 2 363.527 2.756 20 30 FFEDLP C=CCN(CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1)C(=O)OCC ZINC001209018038 1038634511 /nfs/dbraw/zinc/63/45/11/1038634511.db2.gz AEKGHSHRWYIZQI-CALCHBBNSA-N 2 2 363.527 2.756 20 30 FFEDLP C=CCN(CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1)C(=O)OCC ZINC001209018038 1038634513 /nfs/dbraw/zinc/63/45/13/1038634513.db2.gz AEKGHSHRWYIZQI-CALCHBBNSA-N 2 2 363.527 2.756 20 30 FFEDLP C=CCN(CC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1)C(=O)OCC ZINC001209018038 1038634516 /nfs/dbraw/zinc/63/45/16/1038634516.db2.gz AEKGHSHRWYIZQI-CALCHBBNSA-N 2 2 363.527 2.756 20 30 FFEDLP CC[NH+](CC)CC[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001251664875 1039238589 /nfs/dbraw/zinc/23/85/89/1039238589.db2.gz LLDLVYYFPSMVEB-SFHVURJKSA-N 2 2 371.529 2.506 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+]([C@H]4CCCC[NH2+]C4)C3)C2)c1 ZINC001246768268 1039473003 /nfs/dbraw/zinc/47/30/03/1039473003.db2.gz UAJAMZZLPGOROS-FCHUYYIVSA-N 2 2 368.525 2.619 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+]([C@H]4CCCC[NH2+]C4)C3)C2)c1 ZINC001246768268 1039473007 /nfs/dbraw/zinc/47/30/07/1039473007.db2.gz UAJAMZZLPGOROS-FCHUYYIVSA-N 2 2 368.525 2.619 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830291 1042139342 /nfs/dbraw/zinc/13/93/42/1042139342.db2.gz ODAKDZQUXSFQMZ-JFIYKMOQSA-N 2 2 361.555 2.897 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830291 1042139345 /nfs/dbraw/zinc/13/93/45/1042139345.db2.gz ODAKDZQUXSFQMZ-JFIYKMOQSA-N 2 2 361.555 2.897 20 30 FFEDLP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264592974 1042731812 /nfs/dbraw/zinc/73/18/12/1042731812.db2.gz YOAUPAAGYHLKMJ-IOMROCGXSA-N 2 2 364.493 2.586 20 30 FFEDLP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264592974 1042731815 /nfs/dbraw/zinc/73/18/15/1042731815.db2.gz YOAUPAAGYHLKMJ-IOMROCGXSA-N 2 2 364.493 2.586 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)c(O)c1 ZINC001279497304 1043188386 /nfs/dbraw/zinc/18/83/86/1043188386.db2.gz CLVIKVOVHSWXFJ-UXHICEINSA-N 2 2 351.454 2.712 20 30 FFEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)[nH+]1 ZINC001319489932 1045171188 /nfs/dbraw/zinc/17/11/88/1045171188.db2.gz MREDOOBXYZHOOG-RTBURBONSA-N 2 2 366.465 2.578 20 30 FFEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)[nH+]1 ZINC001319489932 1045171191 /nfs/dbraw/zinc/17/11/91/1045171191.db2.gz MREDOOBXYZHOOG-RTBURBONSA-N 2 2 366.465 2.578 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001340263779 1050668790 /nfs/dbraw/zinc/66/87/90/1050668790.db2.gz ISPCSROMHPRLAQ-KSZLIROESA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001340263779 1050668794 /nfs/dbraw/zinc/66/87/94/1050668794.db2.gz ISPCSROMHPRLAQ-KSZLIROESA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001340263779 1050668797 /nfs/dbraw/zinc/66/87/97/1050668797.db2.gz ISPCSROMHPRLAQ-KSZLIROESA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001340263779 1050668804 /nfs/dbraw/zinc/66/88/04/1050668804.db2.gz ISPCSROMHPRLAQ-KSZLIROESA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001342225563 1050816144 /nfs/dbraw/zinc/81/61/44/1050816144.db2.gz QMMYDGYFHYGOND-KSZLIROESA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001342225563 1050816155 /nfs/dbraw/zinc/81/61/55/1050816155.db2.gz QMMYDGYFHYGOND-KSZLIROESA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001342225563 1050816159 /nfs/dbraw/zinc/81/61/59/1050816159.db2.gz QMMYDGYFHYGOND-KSZLIROESA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001342225563 1050816168 /nfs/dbraw/zinc/81/61/68/1050816168.db2.gz QMMYDGYFHYGOND-KSZLIROESA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001340589661 1050975301 /nfs/dbraw/zinc/97/53/01/1050975301.db2.gz ZNQMQHBUFXRTLD-HKUYNNGSSA-N 2 2 370.545 2.513 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001340589661 1050975316 /nfs/dbraw/zinc/97/53/16/1050975316.db2.gz ZNQMQHBUFXRTLD-HKUYNNGSSA-N 2 2 370.545 2.513 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001479642087 1062696671 /nfs/dbraw/zinc/69/66/71/1062696671.db2.gz ACZSWBQTSJKUMF-FFZOFVMBSA-N 2 2 365.481 2.875 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001479642087 1062696682 /nfs/dbraw/zinc/69/66/82/1062696682.db2.gz ACZSWBQTSJKUMF-FFZOFVMBSA-N 2 2 365.481 2.875 20 30 FFEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001465206734 1063006174 /nfs/dbraw/zinc/00/61/74/1063006174.db2.gz SBHCCLUTKCTHMV-QPJJXVBHSA-N 2 2 350.353 2.936 20 30 FFEDLP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001569211544 1077134458 /nfs/dbraw/zinc/13/44/58/1077134458.db2.gz GSDDWFGRDJLGCU-QZTJIDSGSA-N 2 2 370.884 2.656 20 30 FFEDLP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001569211544 1077134459 /nfs/dbraw/zinc/13/44/59/1077134459.db2.gz GSDDWFGRDJLGCU-QZTJIDSGSA-N 2 2 370.884 2.656 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2C(F)(F)F)CC1 ZINC001588656958 1080144638 /nfs/dbraw/zinc/14/46/38/1080144638.db2.gz CSSBEZCZJHECNK-UHFFFAOYSA-N 2 2 366.391 2.626 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3COc4ccccc4[C@@H]3O)CC2)cc1 ZINC000290179268 257319082 /nfs/dbraw/zinc/31/90/82/257319082.db2.gz FEXBXEJFOIJAOF-IRLDBZIGSA-N 2 2 363.461 2.607 20 30 FFEDLP C[NH+](C)C1CC[NH+](CCNc2cccc(Br)c2C#N)CC1 ZINC000290796220 257358343 /nfs/dbraw/zinc/35/83/43/257358343.db2.gz OZQUNAGFSQXESL-UHFFFAOYSA-N 2 2 351.292 2.759 20 30 FFEDLP C=C(C)COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)ccc1OC ZINC000067122180 506763055 /nfs/dbraw/zinc/76/30/55/506763055.db2.gz YYDUXQJFNSBMPK-LJQANCHMSA-N 2 2 362.514 2.833 20 30 FFEDLP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C[C@H](C)C#N ZINC000064249033 507787666 /nfs/dbraw/zinc/78/76/66/507787666.db2.gz QFXRZTKDHHVWLB-QGZVFWFLSA-N 2 2 356.514 2.557 20 30 FFEDLP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C[C@H](C)C#N ZINC000064249033 507787668 /nfs/dbraw/zinc/78/76/68/507787668.db2.gz QFXRZTKDHHVWLB-QGZVFWFLSA-N 2 2 356.514 2.557 20 30 FFEDLP CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373499903 512363166 /nfs/dbraw/zinc/36/31/66/512363166.db2.gz BGPLLHLPVJMBMC-PZJWPPBQSA-N 2 2 368.525 2.701 20 30 FFEDLP CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373499903 512363172 /nfs/dbraw/zinc/36/31/72/512363172.db2.gz BGPLLHLPVJMBMC-PZJWPPBQSA-N 2 2 368.525 2.701 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000077249870 508293134 /nfs/dbraw/zinc/29/31/34/508293134.db2.gz KXPCPDQXZXPMNW-UHFFFAOYSA-N 2 2 372.513 2.748 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000077249870 508293137 /nfs/dbraw/zinc/29/31/37/508293137.db2.gz KXPCPDQXZXPMNW-UHFFFAOYSA-N 2 2 372.513 2.748 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C(C)C ZINC000103306374 508305922 /nfs/dbraw/zinc/30/59/22/508305922.db2.gz AFZQSDAEGVFWAI-IBGZPJMESA-N 2 2 359.518 2.928 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156993942 508507712 /nfs/dbraw/zinc/50/77/12/508507712.db2.gz ICYLVHYYBKYJCQ-UYAOXDASSA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156993942 508507716 /nfs/dbraw/zinc/50/77/16/508507716.db2.gz ICYLVHYYBKYJCQ-UYAOXDASSA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156993942 508507719 /nfs/dbraw/zinc/50/77/19/508507719.db2.gz ICYLVHYYBKYJCQ-UYAOXDASSA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156993942 508507723 /nfs/dbraw/zinc/50/77/23/508507723.db2.gz ICYLVHYYBKYJCQ-UYAOXDASSA-N 2 2 356.514 2.733 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134942145 508577132 /nfs/dbraw/zinc/57/71/32/508577132.db2.gz IFDOMAOLJDQVKB-WRWLIDTKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134942145 508577136 /nfs/dbraw/zinc/57/71/36/508577136.db2.gz IFDOMAOLJDQVKB-WRWLIDTKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134942145 508577140 /nfs/dbraw/zinc/57/71/40/508577140.db2.gz IFDOMAOLJDQVKB-WRWLIDTKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134942145 508577144 /nfs/dbraw/zinc/57/71/44/508577144.db2.gz IFDOMAOLJDQVKB-WRWLIDTKSA-N 2 2 352.482 2.834 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC000124463625 508835979 /nfs/dbraw/zinc/83/59/79/508835979.db2.gz SWGQJKFLSJVNLZ-MRXNPFEDSA-N 2 2 362.543 2.787 20 30 FFEDLP CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124849306 508894613 /nfs/dbraw/zinc/89/46/13/508894613.db2.gz QDUDWJYKHVTUGJ-RTWAWAEBSA-N 2 2 368.525 2.967 20 30 FFEDLP CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124849306 508894614 /nfs/dbraw/zinc/89/46/14/508894614.db2.gz QDUDWJYKHVTUGJ-RTWAWAEBSA-N 2 2 368.525 2.967 20 30 FFEDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000131412906 508928325 /nfs/dbraw/zinc/92/83/25/508928325.db2.gz PRJDUVOZEHJLEY-NRFANRHFSA-N 2 2 353.466 2.539 20 30 FFEDLP CC[NH+]=C(NCc1ncc(CC)s1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160104632 508938840 /nfs/dbraw/zinc/93/88/40/508938840.db2.gz RNIARVQXMYYECZ-GOEBONIOSA-N 2 2 360.531 2.951 20 30 FFEDLP Cc1cc(C)c(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000267025778 509312619 /nfs/dbraw/zinc/31/26/19/509312619.db2.gz SQXQDSBUCASNQO-UHFFFAOYSA-N 2 2 368.481 2.949 20 30 FFEDLP Cc1cc(F)cc2c1ncc(C#N)c2NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267241555 509407232 /nfs/dbraw/zinc/40/72/32/509407232.db2.gz XXOMCDGICHQKQF-UHFFFAOYSA-N 2 2 355.461 2.992 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245447138 509942460 /nfs/dbraw/zinc/94/24/60/509942460.db2.gz LVUKBAHBWVLTSU-MOPGFXCFSA-N 2 2 356.514 2.985 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245447138 509942463 /nfs/dbraw/zinc/94/24/63/509942463.db2.gz LVUKBAHBWVLTSU-MOPGFXCFSA-N 2 2 356.514 2.985 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180553545 509980558 /nfs/dbraw/zinc/98/05/58/509980558.db2.gz NPZXAQZOGNWJEE-UWJYYQICSA-N 2 2 350.466 2.984 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180553545 509980563 /nfs/dbraw/zinc/98/05/63/509980563.db2.gz NPZXAQZOGNWJEE-UWJYYQICSA-N 2 2 350.466 2.984 20 30 FFEDLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245606389 510034379 /nfs/dbraw/zinc/03/43/79/510034379.db2.gz NHLPPVCPTJANAW-VNQPRFMTSA-N 2 2 355.467 2.505 20 30 FFEDLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245606389 510034387 /nfs/dbraw/zinc/03/43/87/510034387.db2.gz NHLPPVCPTJANAW-VNQPRFMTSA-N 2 2 355.467 2.505 20 30 FFEDLP C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261980169 510135573 /nfs/dbraw/zinc/13/55/73/510135573.db2.gz OSAPSDMROZZOGB-JQHSSLGASA-N 2 2 374.558 2.706 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000171607232 510250673 /nfs/dbraw/zinc/25/06/73/510250673.db2.gz MWETWCKODCNJMM-UHFFFAOYSA-N 2 2 360.502 2.889 20 30 FFEDLP CN(C(=O)NCCCCC#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246081320 510279982 /nfs/dbraw/zinc/27/99/82/510279982.db2.gz CAMYYKPAPSQCCC-RTBURBONSA-N 2 2 363.550 2.659 20 30 FFEDLP CN(C(=O)NCCCCC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246081320 510279987 /nfs/dbraw/zinc/27/99/87/510279987.db2.gz CAMYYKPAPSQCCC-RTBURBONSA-N 2 2 363.550 2.659 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000181549039 510468416 /nfs/dbraw/zinc/46/84/16/510468416.db2.gz MMWFBAIRTZYUDX-NRFANRHFSA-N 2 2 353.441 2.985 20 30 FFEDLP C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188327568 510711210 /nfs/dbraw/zinc/71/12/10/510711210.db2.gz FPTJLJJAAGQUOB-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188327568 510711216 /nfs/dbraw/zinc/71/12/16/510711216.db2.gz FPTJLJJAAGQUOB-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188327568 510711221 /nfs/dbraw/zinc/71/12/21/510711221.db2.gz FPTJLJJAAGQUOB-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188327568 510711226 /nfs/dbraw/zinc/71/12/26/510711226.db2.gz FPTJLJJAAGQUOB-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266700548 510738658 /nfs/dbraw/zinc/73/86/58/510738658.db2.gz COCWAZKALHVHOU-UHFFFAOYSA-N 2 2 355.467 2.843 20 30 FFEDLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)CCC2 ZINC000330015408 510901748 /nfs/dbraw/zinc/90/17/48/510901748.db2.gz NYKAQJMGFOHMOH-OAHLLOKOSA-N 2 2 367.457 2.610 20 30 FFEDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC000330114597 510918918 /nfs/dbraw/zinc/91/89/18/510918918.db2.gz FAECHHWGOGMOQX-MJGOQNOKSA-N 2 2 353.470 2.702 20 30 FFEDLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC[C@@H]21 ZINC000330114597 510918921 /nfs/dbraw/zinc/91/89/21/510918921.db2.gz FAECHHWGOGMOQX-MJGOQNOKSA-N 2 2 353.470 2.702 20 30 FFEDLP C=CCC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccco1 ZINC000276487437 510940341 /nfs/dbraw/zinc/94/03/41/510940341.db2.gz TZEMMOJUKUWFHU-GOSISDBHSA-N 2 2 355.486 2.879 20 30 FFEDLP C(#Cc1ccccc1)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286226461 511020984 /nfs/dbraw/zinc/02/09/84/511020984.db2.gz ZAGWCYPZRCZNPJ-DEOSSOPVSA-N 2 2 359.517 2.930 20 30 FFEDLP C(#Cc1ccccc1)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286226461 511020989 /nfs/dbraw/zinc/02/09/89/511020989.db2.gz ZAGWCYPZRCZNPJ-DEOSSOPVSA-N 2 2 359.517 2.930 20 30 FFEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656669 511212161 /nfs/dbraw/zinc/21/21/61/511212161.db2.gz RSNKTSZNRUQDAI-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656669 511212166 /nfs/dbraw/zinc/21/21/66/511212166.db2.gz RSNKTSZNRUQDAI-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656669 511212174 /nfs/dbraw/zinc/21/21/74/511212174.db2.gz RSNKTSZNRUQDAI-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000362656669 511212182 /nfs/dbraw/zinc/21/21/82/511212182.db2.gz RSNKTSZNRUQDAI-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000280302800 511413049 /nfs/dbraw/zinc/41/30/49/511413049.db2.gz VZTZSPDSBPZYIB-OAQYLSRUSA-N 2 2 365.481 2.790 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292100706 511465241 /nfs/dbraw/zinc/46/52/41/511465241.db2.gz HVOHTYVIOLVRIN-UGKGYDQZSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292100706 511465245 /nfs/dbraw/zinc/46/52/45/511465245.db2.gz HVOHTYVIOLVRIN-UGKGYDQZSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292100706 511465250 /nfs/dbraw/zinc/46/52/50/511465250.db2.gz HVOHTYVIOLVRIN-UGKGYDQZSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292100706 511465253 /nfs/dbraw/zinc/46/52/53/511465253.db2.gz HVOHTYVIOLVRIN-UGKGYDQZSA-N 2 2 368.525 2.966 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292830272 511737816 /nfs/dbraw/zinc/73/78/16/511737816.db2.gz ALRZJQLOGXVGPE-UTKZUKDTSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292830272 511737819 /nfs/dbraw/zinc/73/78/19/511737819.db2.gz ALRZJQLOGXVGPE-UTKZUKDTSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292830272 511737824 /nfs/dbraw/zinc/73/78/24/511737824.db2.gz ALRZJQLOGXVGPE-UTKZUKDTSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292830272 511737829 /nfs/dbraw/zinc/73/78/29/511737829.db2.gz ALRZJQLOGXVGPE-UTKZUKDTSA-N 2 2 372.488 2.879 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000293058822 511823583 /nfs/dbraw/zinc/82/35/83/511823583.db2.gz UPIXGFTVFJNETR-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000293058822 511823589 /nfs/dbraw/zinc/82/35/89/511823589.db2.gz UPIXGFTVFJNETR-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293058822 511823591 /nfs/dbraw/zinc/82/35/91/511823591.db2.gz UPIXGFTVFJNETR-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293058822 511823592 /nfs/dbraw/zinc/82/35/92/511823592.db2.gz UPIXGFTVFJNETR-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364175432 512001826 /nfs/dbraw/zinc/00/18/26/512001826.db2.gz IXFKGCSYKHEZMZ-SFHVURJKSA-N 2 2 372.538 2.543 20 30 FFEDLP CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364175432 512001830 /nfs/dbraw/zinc/00/18/30/512001830.db2.gz IXFKGCSYKHEZMZ-SFHVURJKSA-N 2 2 372.538 2.543 20 30 FFEDLP C[NH+](C)Cc1ccsc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000446955055 513366769 /nfs/dbraw/zinc/36/67/69/513366769.db2.gz WPMDJPPDBVEOEW-UHFFFAOYSA-N 2 2 368.506 2.639 20 30 FFEDLP COc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000442857669 513798110 /nfs/dbraw/zinc/79/81/10/513798110.db2.gz UCTAITHXFUXZOK-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000442857669 513798115 /nfs/dbraw/zinc/79/81/15/513798115.db2.gz UCTAITHXFUXZOK-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000442857669 513798122 /nfs/dbraw/zinc/79/81/22/513798122.db2.gz UCTAITHXFUXZOK-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000442857669 513798126 /nfs/dbraw/zinc/79/81/26/513798126.db2.gz UCTAITHXFUXZOK-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000424296053 514448606 /nfs/dbraw/zinc/44/86/06/514448606.db2.gz OBFQJEOSAYOKOG-CEWLAPEOSA-N 2 2 351.498 2.854 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000424296053 514448613 /nfs/dbraw/zinc/44/86/13/514448613.db2.gz OBFQJEOSAYOKOG-CEWLAPEOSA-N 2 2 351.498 2.854 20 30 FFEDLP C=C(C)CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000458999845 515260012 /nfs/dbraw/zinc/26/00/12/515260012.db2.gz LXVJTBOMEIANAB-OALUTQOASA-N 2 2 350.551 2.931 20 30 FFEDLP C=C(C)CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458999845 515260021 /nfs/dbraw/zinc/26/00/21/515260021.db2.gz LXVJTBOMEIANAB-OALUTQOASA-N 2 2 350.551 2.931 20 30 FFEDLP C=CC[N@H+](CCc1ccco1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491356791 515417290 /nfs/dbraw/zinc/41/72/90/515417290.db2.gz RIIYDRTXUATMBO-UHFFFAOYSA-N 2 2 367.493 2.655 20 30 FFEDLP C=CC[N@@H+](CCc1ccco1)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491356791 515417298 /nfs/dbraw/zinc/41/72/98/515417298.db2.gz RIIYDRTXUATMBO-UHFFFAOYSA-N 2 2 367.493 2.655 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000551700103 516826807 /nfs/dbraw/zinc/82/68/07/516826807.db2.gz WABRXEPUKSWTNL-YSFYHYPLSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000551700103 516826816 /nfs/dbraw/zinc/82/68/16/516826816.db2.gz WABRXEPUKSWTNL-YSFYHYPLSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000551700103 516826825 /nfs/dbraw/zinc/82/68/25/516826825.db2.gz WABRXEPUKSWTNL-YSFYHYPLSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)C[C@H]1C ZINC000551700103 516826829 /nfs/dbraw/zinc/82/68/29/516826829.db2.gz WABRXEPUKSWTNL-YSFYHYPLSA-N 4 2 362.606 2.599 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000519555453 517044738 /nfs/dbraw/zinc/04/47/38/517044738.db2.gz YXEHLFYWHNMYEG-RXCRORICSA-N 2 2 357.502 2.529 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000519555453 517044743 /nfs/dbraw/zinc/04/47/43/517044743.db2.gz YXEHLFYWHNMYEG-RXCRORICSA-N 2 2 357.502 2.529 20 30 FFEDLP N#Cc1ccc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)o1 ZINC000538608576 517689518 /nfs/dbraw/zinc/68/95/18/517689518.db2.gz YITPWDWBYFYHPT-UHFFFAOYSA-N 2 2 351.410 2.514 20 30 FFEDLP C=C(CC)CSc1nnc([C@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000539118300 517922562 /nfs/dbraw/zinc/92/25/62/517922562.db2.gz YBQIJMMIUDJNTE-INIZCTEOSA-N 2 2 367.563 2.681 20 30 FFEDLP N#Cc1cnn2cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000569605237 518205032 /nfs/dbraw/zinc/20/50/32/518205032.db2.gz GYWWFNWCOZHTTC-CTNGQTDRSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000569605237 518205036 /nfs/dbraw/zinc/20/50/36/518205036.db2.gz GYWWFNWCOZHTTC-CTNGQTDRSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000569605237 518205040 /nfs/dbraw/zinc/20/50/40/518205040.db2.gz GYWWFNWCOZHTTC-CTNGQTDRSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000569605237 518205044 /nfs/dbraw/zinc/20/50/44/518205044.db2.gz GYWWFNWCOZHTTC-CTNGQTDRSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1csc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000576625507 518681910 /nfs/dbraw/zinc/68/19/10/518681910.db2.gz DHPNWBDFLGOMJX-UHFFFAOYSA-N 2 2 369.538 2.702 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579650483 518782823 /nfs/dbraw/zinc/78/28/23/518782823.db2.gz CJRKEUUOARWSPR-RTWAWAEBSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579650483 518782832 /nfs/dbraw/zinc/78/28/32/518782832.db2.gz CJRKEUUOARWSPR-RTWAWAEBSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579650483 518782840 /nfs/dbraw/zinc/78/28/40/518782840.db2.gz CJRKEUUOARWSPR-RTWAWAEBSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579650483 518782848 /nfs/dbraw/zinc/78/28/48/518782848.db2.gz CJRKEUUOARWSPR-RTWAWAEBSA-N 2 2 355.526 2.865 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000571689851 519223248 /nfs/dbraw/zinc/22/32/48/519223248.db2.gz UJBHUJCPLSQFLU-SFTDATJTSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000571689851 519223253 /nfs/dbraw/zinc/22/32/53/519223253.db2.gz UJBHUJCPLSQFLU-SFTDATJTSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000571689851 519223256 /nfs/dbraw/zinc/22/32/56/519223256.db2.gz UJBHUJCPLSQFLU-SFTDATJTSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000571689851 519223260 /nfs/dbraw/zinc/22/32/60/519223260.db2.gz UJBHUJCPLSQFLU-SFTDATJTSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1c(NC(=O)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)sc2c1CCCCC2 ZINC000590601007 519283211 /nfs/dbraw/zinc/28/32/11/519283211.db2.gz OZQYXDMWJPXGEB-UHFFFAOYSA-N 2 2 369.494 2.999 20 30 FFEDLP N#Cc1c(NC(=O)CC[N@H+]2CCc3[nH+]c[nH]c3C2)sc2c1CCCCC2 ZINC000590601007 519283214 /nfs/dbraw/zinc/28/32/14/519283214.db2.gz OZQYXDMWJPXGEB-UHFFFAOYSA-N 2 2 369.494 2.999 20 30 FFEDLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000583810183 519446550 /nfs/dbraw/zinc/44/65/50/519446550.db2.gz ACSMFZCSKYYVHV-MSOLQXFVSA-N 2 2 364.440 2.581 20 30 FFEDLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439538 519966321 /nfs/dbraw/zinc/96/63/21/519966321.db2.gz RQHXNMFHIFCLNU-MAUKXSAKSA-N 2 2 362.905 2.956 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602975708 520000244 /nfs/dbraw/zinc/00/02/44/520000244.db2.gz GHPBMHBIHRLXDB-GHTZIAJQSA-N 2 2 368.525 2.700 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602975708 520000255 /nfs/dbraw/zinc/00/02/55/520000255.db2.gz GHPBMHBIHRLXDB-GHTZIAJQSA-N 2 2 368.525 2.700 20 30 FFEDLP N#C[C@H]1CCC[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000613255772 520413222 /nfs/dbraw/zinc/41/32/22/520413222.db2.gz HHCBSTJOOSHXGQ-HOTGVXAUSA-N 2 2 353.470 2.932 20 30 FFEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000600720844 520422744 /nfs/dbraw/zinc/42/27/44/520422744.db2.gz IMYJSEXLDCQUGU-HKUYNNGSSA-N 2 2 359.514 2.777 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC(Nc3cc(-n4cc[nH+]c4)ncn3)CC2)c1 ZINC000593514977 521043255 /nfs/dbraw/zinc/04/32/55/521043255.db2.gz IQWWEXWWDAJNCY-UHFFFAOYSA-N 2 2 359.437 2.610 20 30 FFEDLP Cc1oc(NC(=O)C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C#N)c1C ZINC000614741221 521118203 /nfs/dbraw/zinc/11/82/03/521118203.db2.gz WVECPDHXCOAKRL-HNNXBMFYSA-N 2 2 367.453 2.729 20 30 FFEDLP Cc1oc(NC(=O)C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C#N)c1C ZINC000614741221 521118216 /nfs/dbraw/zinc/11/82/16/521118216.db2.gz WVECPDHXCOAKRL-HNNXBMFYSA-N 2 2 367.453 2.729 20 30 FFEDLP N#CC1CCC(Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000602588484 521424280 /nfs/dbraw/zinc/42/42/80/521424280.db2.gz MZWVEJFXDXZVOS-UHFFFAOYSA-N 2 2 353.470 2.932 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)ccc1CC#N)C2 ZINC001164815086 720175605 /nfs/dbraw/zinc/17/56/05/720175605.db2.gz IABAGXKWBSCFPW-FPOVZHCZSA-N 2 2 354.498 2.641 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)ccc1CC#N)C2 ZINC001164815086 720175606 /nfs/dbraw/zinc/17/56/06/720175606.db2.gz IABAGXKWBSCFPW-FPOVZHCZSA-N 2 2 354.498 2.641 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]ccc5ccc(C#N)cc54)C[C@H]3C2)cn1 ZINC001164769931 721111150 /nfs/dbraw/zinc/11/11/50/721111150.db2.gz QHKWYBPTYMIMGD-WOJBJXKFSA-N 2 2 372.476 2.798 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]ccc5ccc(C#N)cc54)C[C@H]3C2)cn1 ZINC001164769931 721111158 /nfs/dbraw/zinc/11/11/58/721111158.db2.gz QHKWYBPTYMIMGD-WOJBJXKFSA-N 2 2 372.476 2.798 20 30 FFEDLP C=CC[C@H]1N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1(C)C ZINC000683559610 961039112 /nfs/dbraw/zinc/03/91/12/961039112.db2.gz PHXWWJJMFRSSBI-IEBWSBKVSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[C@H]1N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1(C)C ZINC000683559610 961039131 /nfs/dbraw/zinc/03/91/31/961039131.db2.gz PHXWWJJMFRSSBI-IEBWSBKVSA-N 2 2 362.562 2.931 20 30 FFEDLP CC[NH+]=C(NC[C@@H]1CCCC[N@@H+]1CC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261942227 964787086 /nfs/dbraw/zinc/78/70/86/964787086.db2.gz DUHMRPIJVFZRAB-FHWLQOOXSA-N 3 2 360.550 2.606 20 30 FFEDLP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261942227 964787092 /nfs/dbraw/zinc/78/70/92/964787092.db2.gz DUHMRPIJVFZRAB-FHWLQOOXSA-N 3 2 360.550 2.606 20 30 FFEDLP C=C(C)[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000664702430 964985959 /nfs/dbraw/zinc/98/59/59/964985959.db2.gz USABPSYDTOYDDT-SFHVURJKSA-N 2 2 368.472 2.765 20 30 FFEDLP C=C(C)[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000664702430 964985970 /nfs/dbraw/zinc/98/59/70/964985970.db2.gz USABPSYDTOYDDT-SFHVURJKSA-N 2 2 368.472 2.765 20 30 FFEDLP C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087474933 965567816 /nfs/dbraw/zinc/56/78/16/965567816.db2.gz GXWWCZXHLKOKIX-PCCBWWKXSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087474933 965567828 /nfs/dbraw/zinc/56/78/28/965567828.db2.gz GXWWCZXHLKOKIX-PCCBWWKXSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001087474933 965567838 /nfs/dbraw/zinc/56/78/38/965567838.db2.gz GXWWCZXHLKOKIX-PCCBWWKXSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001087474933 965567841 /nfs/dbraw/zinc/56/78/41/965567841.db2.gz GXWWCZXHLKOKIX-PCCBWWKXSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1c1ccccc1 ZINC001211625497 968266644 /nfs/dbraw/zinc/26/66/44/968266644.db2.gz JOFIDLPNIZKOFH-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001087453391 977761293 /nfs/dbraw/zinc/76/12/93/977761293.db2.gz QIWLFWKWZGZQPU-VAMGGRTRSA-N 2 2 359.489 2.770 20 30 FFEDLP C=C(C)C[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001087453391 977761295 /nfs/dbraw/zinc/76/12/95/977761295.db2.gz QIWLFWKWZGZQPU-VAMGGRTRSA-N 2 2 359.489 2.770 20 30 FFEDLP CN(C(=O)c1coc(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866957781 980657507 /nfs/dbraw/zinc/65/75/07/980657507.db2.gz OBEAWFFTSBSOHA-MOPGFXCFSA-N 2 2 358.486 2.560 20 30 FFEDLP CN(C(=O)c1coc(C#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866957781 980657511 /nfs/dbraw/zinc/65/75/11/980657511.db2.gz OBEAWFFTSBSOHA-MOPGFXCFSA-N 2 2 358.486 2.560 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001112537185 980738014 /nfs/dbraw/zinc/73/80/14/980738014.db2.gz ULHOOMXYLJGVGZ-BQFCYCMXSA-N 2 2 350.894 2.805 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C(C)C)[C@@H]1C ZINC001088631355 982036661 /nfs/dbraw/zinc/03/66/61/982036661.db2.gz GUEUFSZLWFCPAO-COPCDDAFSA-N 2 2 367.537 2.987 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C(C)C)[C@@H]1C ZINC001088631355 982036673 /nfs/dbraw/zinc/03/66/73/982036673.db2.gz GUEUFSZLWFCPAO-COPCDDAFSA-N 2 2 367.537 2.987 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C(C)C)[C@@H]1C ZINC001088631355 982036683 /nfs/dbraw/zinc/03/66/83/982036683.db2.gz GUEUFSZLWFCPAO-COPCDDAFSA-N 2 2 367.537 2.987 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C(C)C)[C@@H]1C ZINC001088631355 982036695 /nfs/dbraw/zinc/03/66/95/982036695.db2.gz GUEUFSZLWFCPAO-COPCDDAFSA-N 2 2 367.537 2.987 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2ccccc2C)[C@@H]1C ZINC001088631839 982041766 /nfs/dbraw/zinc/04/17/66/982041766.db2.gz IWXZCKBDQLNMSG-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2ccccc2C)[C@@H]1C ZINC001088631839 982041778 /nfs/dbraw/zinc/04/17/78/982041778.db2.gz IWXZCKBDQLNMSG-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2ccccc2C)[C@@H]1C ZINC001088631839 982041788 /nfs/dbraw/zinc/04/17/88/982041788.db2.gz IWXZCKBDQLNMSG-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2ccccc2C)[C@@H]1C ZINC001088631839 982041797 /nfs/dbraw/zinc/04/17/97/982041797.db2.gz IWXZCKBDQLNMSG-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001105563095 982411399 /nfs/dbraw/zinc/41/13/99/982411399.db2.gz CSENNHQDNBEZHV-LMMKCTJWSA-N 2 2 356.514 2.851 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001112112598 984699304 /nfs/dbraw/zinc/69/93/04/984699304.db2.gz ODRHCHPQVVVWHO-NWANDNLSSA-N 2 2 358.408 2.676 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112112598 984699308 /nfs/dbraw/zinc/69/93/08/984699308.db2.gz ODRHCHPQVVVWHO-NWANDNLSSA-N 2 2 358.408 2.676 20 30 FFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153754 987289022 /nfs/dbraw/zinc/28/90/22/987289022.db2.gz RMXZCUSYMBRDMF-FGTMMUONSA-N 2 2 358.530 2.801 20 30 FFEDLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000879569367 1015591148 /nfs/dbraw/zinc/59/11/48/1015591148.db2.gz OBFFKPJPECFWSQ-PBHICJAKSA-N 2 2 372.538 2.853 20 30 FFEDLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000879569367 1015591157 /nfs/dbraw/zinc/59/11/57/1015591157.db2.gz OBFFKPJPECFWSQ-PBHICJAKSA-N 2 2 372.538 2.853 20 30 FFEDLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000879569367 1015591166 /nfs/dbraw/zinc/59/11/66/1015591166.db2.gz OBFFKPJPECFWSQ-PBHICJAKSA-N 2 2 372.538 2.853 20 30 FFEDLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000879569367 1015591174 /nfs/dbraw/zinc/59/11/74/1015591174.db2.gz OBFFKPJPECFWSQ-PBHICJAKSA-N 2 2 372.538 2.853 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1ccccc1 ZINC001081132057 993689053 /nfs/dbraw/zinc/68/90/53/993689053.db2.gz FWRQXRFQYRWFJP-RBUKOAKNSA-N 2 2 352.482 2.697 20 30 FFEDLP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001054043684 1015931379 /nfs/dbraw/zinc/93/13/79/1015931379.db2.gz GFDLLZYSPUAXIS-IPMKNSEASA-N 2 2 350.466 2.632 20 30 FFEDLP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001054043684 1015931388 /nfs/dbraw/zinc/93/13/88/1015931388.db2.gz GFDLLZYSPUAXIS-IPMKNSEASA-N 2 2 350.466 2.632 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001084754367 997207789 /nfs/dbraw/zinc/20/77/89/997207789.db2.gz LCQANOGNUVIXOO-UYAOXDASSA-N 2 2 350.466 2.985 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001084754367 997207799 /nfs/dbraw/zinc/20/77/99/997207799.db2.gz LCQANOGNUVIXOO-UYAOXDASSA-N 2 2 350.466 2.985 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001109428111 1000439957 /nfs/dbraw/zinc/43/99/57/1000439957.db2.gz NHWIJIPPYMLTPV-GTAWCEEGSA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001109428111 1000439960 /nfs/dbraw/zinc/43/99/60/1000439960.db2.gz NHWIJIPPYMLTPV-GTAWCEEGSA-N 2 2 372.488 2.505 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001109735372 1000924729 /nfs/dbraw/zinc/92/47/29/1000924729.db2.gz DLAAKIFHGHETRU-QQXKLLMISA-N 2 2 356.514 2.992 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001109735372 1000924736 /nfs/dbraw/zinc/92/47/36/1000924736.db2.gz DLAAKIFHGHETRU-QQXKLLMISA-N 2 2 356.514 2.992 20 30 FFEDLP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358829 1001351752 /nfs/dbraw/zinc/35/17/52/1001351752.db2.gz LFOAIFVHZKJSQI-DFQSSKMNSA-N 2 2 364.493 2.830 20 30 FFEDLP C[C@@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358829 1001351759 /nfs/dbraw/zinc/35/17/59/1001351759.db2.gz LFOAIFVHZKJSQI-DFQSSKMNSA-N 2 2 364.493 2.830 20 30 FFEDLP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001086606055 1002943992 /nfs/dbraw/zinc/94/39/92/1002943992.db2.gz JHDVRISXJCGGRD-VQTJNVASSA-N 2 2 365.477 2.562 20 30 FFEDLP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001086606055 1002944000 /nfs/dbraw/zinc/94/40/00/1002944000.db2.gz JHDVRISXJCGGRD-VQTJNVASSA-N 2 2 365.477 2.562 20 30 FFEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086608933 1003168698 /nfs/dbraw/zinc/16/86/98/1003168698.db2.gz HNTDLZYEWGDPJN-ZIFCJYIRSA-N 2 2 350.466 2.600 20 30 FFEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086608933 1003168702 /nfs/dbraw/zinc/16/87/02/1003168702.db2.gz HNTDLZYEWGDPJN-ZIFCJYIRSA-N 2 2 350.466 2.600 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650605 1003296792 /nfs/dbraw/zinc/29/67/92/1003296792.db2.gz HXTWIGNQZPRTNS-IUODEOHRSA-N 2 2 355.935 2.860 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650605 1003296799 /nfs/dbraw/zinc/29/67/99/1003296799.db2.gz HXTWIGNQZPRTNS-IUODEOHRSA-N 2 2 355.935 2.860 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883343242 1006757538 /nfs/dbraw/zinc/75/75/38/1006757538.db2.gz GACGNYGSTMNYRP-LJQANCHMSA-N 2 2 353.470 2.574 20 30 FFEDLP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001252483292 1008006032 /nfs/dbraw/zinc/00/60/32/1008006032.db2.gz SBGBWVOJBLLSJJ-SFHVURJKSA-N 2 2 372.431 2.823 20 30 FFEDLP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]([NH3+])CCCC#N)n3)cc2F)CC1 ZINC000822951079 1008833719 /nfs/dbraw/zinc/83/37/19/1008833719.db2.gz JTTLSTRSHWHHEE-INIZCTEOSA-N 2 2 372.448 2.711 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1O ZINC000866388461 1010986792 /nfs/dbraw/zinc/98/67/92/1010986792.db2.gz JVBGRFMZYQGFLF-DNVCBOLYSA-N 2 2 351.450 2.681 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1O ZINC000866388461 1010986795 /nfs/dbraw/zinc/98/67/95/1010986795.db2.gz JVBGRFMZYQGFLF-DNVCBOLYSA-N 2 2 351.450 2.681 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433843 1011117864 /nfs/dbraw/zinc/11/78/64/1011117864.db2.gz GCXPMBOXMMUHLA-FRQCXROJSA-N 2 2 362.905 2.874 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433843 1011117865 /nfs/dbraw/zinc/11/78/65/1011117865.db2.gz GCXPMBOXMMUHLA-FRQCXROJSA-N 2 2 362.905 2.874 20 30 FFEDLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172985311 1012153621 /nfs/dbraw/zinc/15/36/21/1012153621.db2.gz QKEWIMVQVRDSPM-SJORKVTESA-N 2 2 350.507 2.694 20 30 FFEDLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172985311 1012153630 /nfs/dbraw/zinc/15/36/30/1012153630.db2.gz QKEWIMVQVRDSPM-SJORKVTESA-N 2 2 350.507 2.694 20 30 FFEDLP Cc1cccc(NC(=[NH2+])NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000303863253 1012470724 /nfs/dbraw/zinc/47/07/24/1012470724.db2.gz ADBATCRXNATXDR-UHFFFAOYSA-N 2 2 368.481 2.633 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000303908927 1012517388 /nfs/dbraw/zinc/51/73/88/1012517388.db2.gz XYPJXDHSSSWCPX-KRWDZBQOSA-N 2 2 367.497 2.633 20 30 FFEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cncc(C#N)c1 ZINC000929810020 1019667833 /nfs/dbraw/zinc/66/78/33/1019667833.db2.gz OZRHQMATOQKSNS-UHFFFAOYSA-N 3 2 355.530 2.581 20 30 FFEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cncc(C#N)c1 ZINC000929810020 1019667844 /nfs/dbraw/zinc/66/78/44/1019667844.db2.gz OZRHQMATOQKSNS-UHFFFAOYSA-N 3 2 355.530 2.581 20 30 FFEDLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001111075362 1021267122 /nfs/dbraw/zinc/26/71/22/1021267122.db2.gz XFAZNIIENUEJTN-XLNTUCKNSA-N 2 2 363.465 2.628 20 30 FFEDLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001111075362 1021267133 /nfs/dbraw/zinc/26/71/33/1021267133.db2.gz XFAZNIIENUEJTN-XLNTUCKNSA-N 2 2 363.465 2.628 20 30 FFEDLP C#Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000934936785 1021474547 /nfs/dbraw/zinc/47/45/47/1021474547.db2.gz QYVCLVVYLQFGDT-UHFFFAOYSA-N 2 2 354.498 2.740 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163656 1027020040 /nfs/dbraw/zinc/02/00/40/1027020040.db2.gz QXVKRAQQTQUIKT-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163656 1027020045 /nfs/dbraw/zinc/02/00/45/1027020045.db2.gz QXVKRAQQTQUIKT-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163656 1027020055 /nfs/dbraw/zinc/02/00/55/1027020055.db2.gz QXVKRAQQTQUIKT-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163656 1027020062 /nfs/dbraw/zinc/02/00/62/1027020062.db2.gz QXVKRAQQTQUIKT-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP N#Cc1ccc2c(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c2c1 ZINC001142917149 1031050781 /nfs/dbraw/zinc/05/07/81/1031050781.db2.gz UKHHXRFICGWVCO-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2c(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c2c1 ZINC001142917149 1031050797 /nfs/dbraw/zinc/05/07/97/1031050797.db2.gz UKHHXRFICGWVCO-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2c(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c[nH]c2c1 ZINC001142917149 1031050816 /nfs/dbraw/zinc/05/08/16/1031050816.db2.gz UKHHXRFICGWVCO-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2c(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c[nH]c2c1 ZINC001142917149 1031050831 /nfs/dbraw/zinc/05/08/31/1031050831.db2.gz UKHHXRFICGWVCO-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC001138550429 1034399467 /nfs/dbraw/zinc/39/94/67/1034399467.db2.gz SMURLEUFEBPWLD-UHFFFAOYSA-N 2 2 352.438 2.850 20 30 FFEDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139403496 1035091637 /nfs/dbraw/zinc/09/16/37/1035091637.db2.gz VJYUIUXDGHVTNX-RBBKRZOGSA-N 2 2 362.477 2.773 20 30 FFEDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139403496 1035091642 /nfs/dbraw/zinc/09/16/42/1035091642.db2.gz VJYUIUXDGHVTNX-RBBKRZOGSA-N 2 2 362.477 2.773 20 30 FFEDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139403496 1035091648 /nfs/dbraw/zinc/09/16/48/1035091648.db2.gz VJYUIUXDGHVTNX-RBBKRZOGSA-N 2 2 362.477 2.773 20 30 FFEDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139403496 1035091656 /nfs/dbraw/zinc/09/16/56/1035091656.db2.gz VJYUIUXDGHVTNX-RBBKRZOGSA-N 2 2 362.477 2.773 20 30 FFEDLP CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835232689 1035636624 /nfs/dbraw/zinc/63/66/24/1035636624.db2.gz VYJUXFFJCAGNOI-OAHLLOKOSA-N 2 2 370.409 2.671 20 30 FFEDLP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232680652 1035939774 /nfs/dbraw/zinc/93/97/74/1035939774.db2.gz GAHOXCYNNDAVPP-UHFFFAOYSA-N 2 2 358.530 2.894 20 30 FFEDLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001228800442 1036330873 /nfs/dbraw/zinc/33/08/73/1036330873.db2.gz KGWVKFJJWHLAKC-RTBURBONSA-N 2 2 370.884 2.674 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001229471727 1036691734 /nfs/dbraw/zinc/69/17/34/1036691734.db2.gz FBVVHRLGZKEONO-QZTJIDSGSA-N 2 2 353.470 2.864 20 30 FFEDLP CCCCCCCC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001252125596 1039439351 /nfs/dbraw/zinc/43/93/51/1039439351.db2.gz FEWKRCGVSNBPSZ-LJQANCHMSA-N 2 2 367.578 2.774 20 30 FFEDLP CCCCCCCC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001252125596 1039439357 /nfs/dbraw/zinc/43/93/57/1039439357.db2.gz FEWKRCGVSNBPSZ-LJQANCHMSA-N 2 2 367.578 2.774 20 30 FFEDLP N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1 ZINC001248157740 1040152087 /nfs/dbraw/zinc/15/20/87/1040152087.db2.gz VWRSBUIMZIPQSZ-SFHVURJKSA-N 2 2 370.416 2.906 20 30 FFEDLP CCc1cc(C#N)ccc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001248752269 1040396407 /nfs/dbraw/zinc/39/64/07/1040396407.db2.gz DXHZRKWMQFRUHZ-HXUWFJFHSA-N 2 2 369.509 2.970 20 30 FFEDLP CCc1cc(C#N)ccc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001248752269 1040396424 /nfs/dbraw/zinc/39/64/24/1040396424.db2.gz DXHZRKWMQFRUHZ-HXUWFJFHSA-N 2 2 369.509 2.970 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(C)c(F)cc2OC)CC1 ZINC001250116934 1041120514 /nfs/dbraw/zinc/12/05/14/1041120514.db2.gz IUIVWULILIXEBL-UHFFFAOYSA-N 2 2 361.505 2.934 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCC=CO2)C3)cc1C#N ZINC001278138785 1043331399 /nfs/dbraw/zinc/33/13/99/1043331399.db2.gz DPTBLJKZKSTMOT-NHCUHLMSSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCC=CO2)C3)cc1C#N ZINC001278138785 1043331408 /nfs/dbraw/zinc/33/14/08/1043331408.db2.gz DPTBLJKZKSTMOT-NHCUHLMSSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@H]2CCC=CO2)C3)cc1C#N ZINC001278138785 1043331412 /nfs/dbraw/zinc/33/14/12/1043331412.db2.gz DPTBLJKZKSTMOT-NHCUHLMSSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C[C@H]2CCC=CO2)C3)cc1C#N ZINC001278138785 1043331420 /nfs/dbraw/zinc/33/14/20/1043331420.db2.gz DPTBLJKZKSTMOT-NHCUHLMSSA-N 2 2 354.498 2.877 20 30 FFEDLP CCCCCCCCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001238813461 1043908817 /nfs/dbraw/zinc/90/88/17/1043908817.db2.gz UPWZCFPKMBIABL-GOSISDBHSA-N 2 2 373.607 2.873 20 30 FFEDLP CCCCCCCCCCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001238813461 1043908825 /nfs/dbraw/zinc/90/88/25/1043908825.db2.gz UPWZCFPKMBIABL-GOSISDBHSA-N 2 2 373.607 2.873 20 30 FFEDLP C=CCCC[N@@H+]1C[C@H]2C[C@H](CC(=O)Nc3cccc4[nH+]ccn43)O[C@H]2C1 ZINC001280121699 1044251453 /nfs/dbraw/zinc/25/14/53/1044251453.db2.gz WCDJISJVJVTOIW-ZACQAIPSSA-N 2 2 354.454 2.718 20 30 FFEDLP C=CCCC[N@H+]1C[C@H]2C[C@H](CC(=O)Nc3cccc4[nH+]ccn43)O[C@H]2C1 ZINC001280121699 1044251462 /nfs/dbraw/zinc/25/14/62/1044251462.db2.gz WCDJISJVJVTOIW-ZACQAIPSSA-N 2 2 354.454 2.718 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC001324516924 1046075749 /nfs/dbraw/zinc/07/57/49/1046075749.db2.gz WBBCOXHUYCTZBA-INIZCTEOSA-N 2 2 362.437 2.796 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC001324516924 1046075767 /nfs/dbraw/zinc/07/57/67/1046075767.db2.gz WBBCOXHUYCTZBA-INIZCTEOSA-N 2 2 362.437 2.796 20 30 FFEDLP C#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001502519209 1058867972 /nfs/dbraw/zinc/86/79/72/1058867972.db2.gz IAPIULFBJQLEAZ-RTBURBONSA-N 2 2 356.514 2.545 20 30 FFEDLP CC(=NNCCCn1cc[nH+]c1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000848419040 1059976378 /nfs/dbraw/zinc/97/63/78/1059976378.db2.gz PNXRBAWYMDSCGO-UHFFFAOYSA-N 2 2 355.486 2.979 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001479452000 1062416948 /nfs/dbraw/zinc/41/69/48/1062416948.db2.gz JAPVRSXDGZWZKS-FCEWJHQRSA-N 2 2 359.518 2.631 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001479452000 1062416961 /nfs/dbraw/zinc/41/69/61/1062416961.db2.gz JAPVRSXDGZWZKS-FCEWJHQRSA-N 2 2 359.518 2.631 20 30 FFEDLP C[C@@H]1C[NH+](CC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000332144737 258216051 /nfs/dbraw/zinc/21/60/51/258216051.db2.gz SMJZEILYAJFMIM-QINHECLXSA-N 2 2 370.497 2.956 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000067203064 506793261 /nfs/dbraw/zinc/79/32/61/506793261.db2.gz QNTRHMBCYMWCKH-ROUUACIJSA-N 2 2 369.509 2.580 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000090004173 507900109 /nfs/dbraw/zinc/90/01/09/507900109.db2.gz QRQUQINFOVMXDJ-MRXNPFEDSA-N 2 2 362.437 2.796 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000090004173 507900112 /nfs/dbraw/zinc/90/01/12/507900112.db2.gz QRQUQINFOVMXDJ-MRXNPFEDSA-N 2 2 362.437 2.796 20 30 FFEDLP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000090004396 507900188 /nfs/dbraw/zinc/90/01/88/507900188.db2.gz SNCHSYQNYPUCAK-HNNXBMFYSA-N 2 2 371.510 2.863 20 30 FFEDLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000090004396 507900190 /nfs/dbraw/zinc/90/01/90/507900190.db2.gz SNCHSYQNYPUCAK-HNNXBMFYSA-N 2 2 371.510 2.863 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000090107141 507908917 /nfs/dbraw/zinc/90/89/17/507908917.db2.gz GZBHXUBIGZDKTP-UTKZUKDTSA-N 2 2 350.466 2.832 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000090107141 507908920 /nfs/dbraw/zinc/90/89/20/507908920.db2.gz GZBHXUBIGZDKTP-UTKZUKDTSA-N 2 2 350.466 2.832 20 30 FFEDLP CC[NH+]1CCN(c2ccccc2NCc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000092139543 508046040 /nfs/dbraw/zinc/04/60/40/508046040.db2.gz IVBYGPFDBUGNMT-UHFFFAOYSA-N 2 2 360.465 2.960 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CC1 ZINC000092390574 508067232 /nfs/dbraw/zinc/06/72/32/508067232.db2.gz RHVMYQPCDLOLQL-UHFFFAOYSA-N 3 2 362.949 2.832 20 30 FFEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147213 508124949 /nfs/dbraw/zinc/12/49/49/508124949.db2.gz SRGBBVMWYZRROR-ICSRJNTNSA-N 2 2 356.514 2.579 20 30 FFEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093147213 508124950 /nfs/dbraw/zinc/12/49/50/508124950.db2.gz SRGBBVMWYZRROR-ICSRJNTNSA-N 2 2 356.514 2.579 20 30 FFEDLP COc1cccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)[NH+](C)C)c1 ZINC000104155446 508329567 /nfs/dbraw/zinc/32/95/67/508329567.db2.gz WQRHHKYSNXQQLH-KRWDZBQOSA-N 2 2 372.469 2.742 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152482185 508454966 /nfs/dbraw/zinc/45/49/66/508454966.db2.gz QLCYZEUOXDPRRW-ZWKOTPCHSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152482185 508454968 /nfs/dbraw/zinc/45/49/68/508454968.db2.gz QLCYZEUOXDPRRW-ZWKOTPCHSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152482185 508454972 /nfs/dbraw/zinc/45/49/72/508454972.db2.gz QLCYZEUOXDPRRW-ZWKOTPCHSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152482185 508454977 /nfs/dbraw/zinc/45/49/77/508454977.db2.gz QLCYZEUOXDPRRW-ZWKOTPCHSA-N 2 2 372.513 2.604 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151102239 508956787 /nfs/dbraw/zinc/95/67/87/508956787.db2.gz LMDMJFDCZFVSNI-QUCCMNQESA-N 2 2 367.493 2.984 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151102239 508956788 /nfs/dbraw/zinc/95/67/88/508956788.db2.gz LMDMJFDCZFVSNI-QUCCMNQESA-N 2 2 367.493 2.984 20 30 FFEDLP C[C@H]1C[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000180039030 509721011 /nfs/dbraw/zinc/72/10/11/509721011.db2.gz OOUHLPSCOLWJTQ-IRXDYDNUSA-N 2 2 367.497 2.548 20 30 FFEDLP Cn1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000180047161 509724780 /nfs/dbraw/zinc/72/47/80/509724780.db2.gz DOIWVVPOXDXVAV-UHFFFAOYSA-N 2 2 356.433 2.939 20 30 FFEDLP C#Cc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000174784197 510309771 /nfs/dbraw/zinc/30/97/71/510309771.db2.gz WPZAJOLRBWGXPX-UHFFFAOYSA-N 2 2 354.498 2.740 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000177909875 510321854 /nfs/dbraw/zinc/32/18/54/510321854.db2.gz JQKQQKOFHWPNKD-HNNXBMFYSA-N 2 2 351.516 2.749 20 30 FFEDLP COc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181549521 510468304 /nfs/dbraw/zinc/46/83/04/510468304.db2.gz JVPSBYNPPCVFGB-OAQYLSRUSA-N 2 2 365.477 2.854 20 30 FFEDLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246542677 510546196 /nfs/dbraw/zinc/54/61/96/510546196.db2.gz JYTUHCBLSJSLFL-HKUYNNGSSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246542677 510546202 /nfs/dbraw/zinc/54/62/02/510546202.db2.gz JYTUHCBLSJSLFL-HKUYNNGSSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246542677 510546207 /nfs/dbraw/zinc/54/62/07/510546207.db2.gz JYTUHCBLSJSLFL-HKUYNNGSSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246542677 510546213 /nfs/dbraw/zinc/54/62/13/510546213.db2.gz JYTUHCBLSJSLFL-HKUYNNGSSA-N 2 2 358.530 2.620 20 30 FFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000191496754 510687044 /nfs/dbraw/zinc/68/70/44/510687044.db2.gz MXCVUUQQQCPLOO-IBGZPJMESA-N 2 2 354.454 2.943 20 30 FFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000191496754 510687049 /nfs/dbraw/zinc/68/70/49/510687049.db2.gz MXCVUUQQQCPLOO-IBGZPJMESA-N 2 2 354.454 2.943 20 30 FFEDLP C[N@H+](CCOc1ccccc1C#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326332 510710585 /nfs/dbraw/zinc/71/05/85/510710585.db2.gz LRDFSDGDCLHBBB-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[N@@H+](CCOc1ccccc1C#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326332 510710590 /nfs/dbraw/zinc/71/05/90/510710590.db2.gz LRDFSDGDCLHBBB-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1ccccc1C#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188326332 510710601 /nfs/dbraw/zinc/71/06/01/510710601.db2.gz LRDFSDGDCLHBBB-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1ccccc1C#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188326332 510710605 /nfs/dbraw/zinc/71/06/05/510710605.db2.gz LRDFSDGDCLHBBB-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2C(=O)OCC)CC1 ZINC000182187582 510802661 /nfs/dbraw/zinc/80/26/61/510802661.db2.gz XDRSDYBRSXHFOE-UHFFFAOYSA-N 2 2 368.481 2.789 20 30 FFEDLP C[NH+]1CCC(CNC(=O)COc2ccc(O)cc2)([NH+]2CCCCC2)CC1 ZINC000329913314 510875171 /nfs/dbraw/zinc/87/51/71/510875171.db2.gz XGBWTWXDKCQZPV-UHFFFAOYSA-N 2 2 361.486 2.678 20 30 FFEDLP CC1CC[NH+](CC(=O)Nc2ccc3[nH]c(N4CCOCC4)[nH+]c3c2)CC1 ZINC000330269855 510952274 /nfs/dbraw/zinc/95/22/74/510952274.db2.gz SMHFIBJGZRXLHZ-UHFFFAOYSA-N 2 2 357.458 2.719 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000271912958 511369065 /nfs/dbraw/zinc/36/90/65/511369065.db2.gz FIIBGDPNABLCEU-MGPUTAFESA-N 2 2 353.441 2.767 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000271912958 511369074 /nfs/dbraw/zinc/36/90/74/511369074.db2.gz FIIBGDPNABLCEU-MGPUTAFESA-N 2 2 353.441 2.767 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc(C#N)cc3F)CCC[NH+]2C)cn1 ZINC000328628298 511899325 /nfs/dbraw/zinc/89/93/25/511899325.db2.gz HEKPHUARSAOIIE-FXAWDEMLSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc(C#N)cc3F)CCC[NH+]2C)cn1 ZINC000328628298 511899330 /nfs/dbraw/zinc/89/93/30/511899330.db2.gz HEKPHUARSAOIIE-FXAWDEMLSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(C#N)cc3F)CCC[N@@H+]2C)cn1 ZINC000328628298 511899332 /nfs/dbraw/zinc/89/93/32/511899332.db2.gz HEKPHUARSAOIIE-FXAWDEMLSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(C#N)cc3F)CCC[N@H+]2C)cn1 ZINC000328628298 511899336 /nfs/dbraw/zinc/89/93/36/511899336.db2.gz HEKPHUARSAOIIE-FXAWDEMLSA-N 2 2 355.461 2.946 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000328657935 511911440 /nfs/dbraw/zinc/91/14/40/511911440.db2.gz QBPVZWTUPIQKGD-KRWDZBQOSA-N 3 2 373.545 2.840 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000328657935 511911447 /nfs/dbraw/zinc/91/14/47/511911447.db2.gz QBPVZWTUPIQKGD-KRWDZBQOSA-N 3 2 373.545 2.840 20 30 FFEDLP O=C(C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000328672485 511913789 /nfs/dbraw/zinc/91/37/89/511913789.db2.gz IEHRETKAYWNYQM-LJQANCHMSA-N 2 2 370.497 2.973 20 30 FFEDLP C[C@H](C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[NH+]1CCSCC1 ZINC000328944103 511954265 /nfs/dbraw/zinc/95/42/65/511954265.db2.gz JDIXSDUKWNYNIW-KGLIPLIRSA-N 2 2 350.532 2.889 20 30 FFEDLP CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@H]1C ZINC000329060353 511975799 /nfs/dbraw/zinc/97/57/99/511975799.db2.gz UNKWWSNCERSEEU-OWCLPIDISA-N 2 2 361.534 2.824 20 30 FFEDLP CC[N@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@H]1C ZINC000329060353 511975805 /nfs/dbraw/zinc/97/58/05/511975805.db2.gz UNKWWSNCERSEEU-OWCLPIDISA-N 2 2 361.534 2.824 20 30 FFEDLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000329119269 511987107 /nfs/dbraw/zinc/98/71/07/511987107.db2.gz OZXFJMODKSJHDX-VAMGGRTRSA-N 2 2 357.498 2.768 20 30 FFEDLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000329119269 511987111 /nfs/dbraw/zinc/98/71/11/511987111.db2.gz OZXFJMODKSJHDX-VAMGGRTRSA-N 2 2 357.498 2.768 20 30 FFEDLP Cc1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000329221364 512007615 /nfs/dbraw/zinc/00/76/15/512007615.db2.gz URRZOPMHKCXFGL-IRXDYDNUSA-N 2 2 363.506 2.798 20 30 FFEDLP Cc1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000329221364 512007620 /nfs/dbraw/zinc/00/76/20/512007620.db2.gz URRZOPMHKCXFGL-IRXDYDNUSA-N 2 2 363.506 2.798 20 30 FFEDLP C[C@H](c1ccsc1)[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329648196 512081946 /nfs/dbraw/zinc/08/19/46/512081946.db2.gz FAXKVLAMYCEJCV-UKRRQHHQSA-N 2 2 359.499 2.621 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329692948 512087413 /nfs/dbraw/zinc/08/74/13/512087413.db2.gz AQFSJJPUYAEKCE-IKGGRYGDSA-N 2 2 359.518 2.767 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329692948 512087415 /nfs/dbraw/zinc/08/74/15/512087415.db2.gz AQFSJJPUYAEKCE-IKGGRYGDSA-N 2 2 359.518 2.767 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329692948 512087417 /nfs/dbraw/zinc/08/74/17/512087417.db2.gz AQFSJJPUYAEKCE-IKGGRYGDSA-N 2 2 359.518 2.767 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329692948 512087421 /nfs/dbraw/zinc/08/74/21/512087421.db2.gz AQFSJJPUYAEKCE-IKGGRYGDSA-N 2 2 359.518 2.767 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000329890275 512105706 /nfs/dbraw/zinc/10/57/06/512105706.db2.gz FZIJGTMCSIKWJF-HUUCEWRRSA-N 2 2 350.507 2.843 20 30 FFEDLP C=CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000411370644 512602795 /nfs/dbraw/zinc/60/27/95/512602795.db2.gz PECQYJPEZUJRST-HXUWFJFHSA-N 2 2 362.539 2.848 20 30 FFEDLP C=CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000411370644 512602800 /nfs/dbraw/zinc/60/28/00/512602800.db2.gz PECQYJPEZUJRST-HXUWFJFHSA-N 2 2 362.539 2.848 20 30 FFEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000489514866 514878595 /nfs/dbraw/zinc/87/85/95/514878595.db2.gz RAWUJUQTKSJNID-GOSISDBHSA-N 2 2 371.529 2.598 20 30 FFEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000489514866 514878600 /nfs/dbraw/zinc/87/86/00/514878600.db2.gz RAWUJUQTKSJNID-GOSISDBHSA-N 2 2 371.529 2.598 20 30 FFEDLP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000462187295 514928267 /nfs/dbraw/zinc/92/82/67/514928267.db2.gz IZNXHPQISVKAHI-GOSISDBHSA-N 2 2 368.525 2.728 20 30 FFEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481924231 515515440 /nfs/dbraw/zinc/51/54/40/515515440.db2.gz QMAJRXHZQIOEKQ-RTWAWAEBSA-N 2 2 368.525 2.858 20 30 FFEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481924231 515515445 /nfs/dbraw/zinc/51/54/45/515515445.db2.gz QMAJRXHZQIOEKQ-RTWAWAEBSA-N 2 2 368.525 2.858 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)C(C)C ZINC000469838494 515992046 /nfs/dbraw/zinc/99/20/46/515992046.db2.gz MIKHBEQFLCJTIV-VQTJNVASSA-N 2 2 372.513 2.943 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512254559 516212012 /nfs/dbraw/zinc/21/20/12/516212012.db2.gz XAZMEVVEHINZDS-KNQAVFIVSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512254559 516212015 /nfs/dbraw/zinc/21/20/15/516212015.db2.gz XAZMEVVEHINZDS-KNQAVFIVSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512254559 516212019 /nfs/dbraw/zinc/21/20/19/516212019.db2.gz XAZMEVVEHINZDS-KNQAVFIVSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512254559 516212020 /nfs/dbraw/zinc/21/20/20/516212020.db2.gz XAZMEVVEHINZDS-KNQAVFIVSA-N 2 2 368.525 2.593 20 30 FFEDLP N#Cc1ccc2[nH+]cc(CNc3cccc(C[NH+]4CCC(O)CC4)c3)n2c1 ZINC000539920367 516352523 /nfs/dbraw/zinc/35/25/23/516352523.db2.gz JSZBYAHFNPSTBM-UHFFFAOYSA-N 2 2 361.449 2.775 20 30 FFEDLP C=CCCOCCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000540612009 516639437 /nfs/dbraw/zinc/63/94/37/516639437.db2.gz BHOFBRQMYKBSLU-YOFSQIOKSA-N 2 2 363.546 2.519 20 30 FFEDLP C=CCCOCCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000540612009 516639448 /nfs/dbraw/zinc/63/94/48/516639448.db2.gz BHOFBRQMYKBSLU-YOFSQIOKSA-N 2 2 363.546 2.519 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000537406351 517174642 /nfs/dbraw/zinc/17/46/42/517174642.db2.gz CUMVXARQEAWBTH-HXUWFJFHSA-N 2 2 363.461 2.952 20 30 FFEDLP N#CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c(-c2ccncc2)n1 ZINC000527812596 517930646 /nfs/dbraw/zinc/93/06/46/517930646.db2.gz VIEDPMCFVRZLSU-FQEVSTJZSA-N 2 2 364.497 2.965 20 30 FFEDLP N#CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c(-c2ccncc2)n1 ZINC000527812596 517930649 /nfs/dbraw/zinc/93/06/49/517930649.db2.gz VIEDPMCFVRZLSU-FQEVSTJZSA-N 2 2 364.497 2.965 20 30 FFEDLP C[NH+]1CCC(CNc2ncc3c(c2C#N)CCC3)([NH+]2CCCCC2)CC1 ZINC000579229906 518583671 /nfs/dbraw/zinc/58/36/71/518583671.db2.gz FWAGHGHXYDRPFG-UHFFFAOYSA-N 2 2 353.514 2.804 20 30 FFEDLP C[C@@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CCC[N@@H+]1Cc1ccccc1 ZINC000564987183 518730566 /nfs/dbraw/zinc/73/05/66/518730566.db2.gz ZQQIQPMHSDOEOO-NRFANRHFSA-N 2 2 360.465 2.745 20 30 FFEDLP C[C@@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CCC[N@H+]1Cc1ccccc1 ZINC000564987183 518730574 /nfs/dbraw/zinc/73/05/74/518730574.db2.gz ZQQIQPMHSDOEOO-NRFANRHFSA-N 2 2 360.465 2.745 20 30 FFEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566429116 519488040 /nfs/dbraw/zinc/48/80/40/519488040.db2.gz PUBYQDUOEWOMTK-YJBOKZPZSA-N 2 2 362.905 2.875 20 30 FFEDLP N#CCc1cccc2c1CC[N@@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000602917613 519970418 /nfs/dbraw/zinc/97/04/18/519970418.db2.gz OYQWBBIAIIVMOJ-QHCPKHFHSA-N 2 2 361.489 2.748 20 30 FFEDLP N#CCc1cccc2c1CC[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)C2 ZINC000602917613 519970424 /nfs/dbraw/zinc/97/04/24/519970424.db2.gz OYQWBBIAIIVMOJ-QHCPKHFHSA-N 2 2 361.489 2.748 20 30 FFEDLP N#CCc1cccc2c1CC[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000602917613 519970430 /nfs/dbraw/zinc/97/04/30/519970430.db2.gz OYQWBBIAIIVMOJ-QHCPKHFHSA-N 2 2 361.489 2.748 20 30 FFEDLP N#CCc1cccc2c1CC[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000602917613 519970438 /nfs/dbraw/zinc/97/04/38/519970438.db2.gz OYQWBBIAIIVMOJ-QHCPKHFHSA-N 2 2 361.489 2.748 20 30 FFEDLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000600717943 520418495 /nfs/dbraw/zinc/41/84/95/520418495.db2.gz ORHLZWRUDKPKFK-PMACEKPBSA-N 2 2 359.514 2.730 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc4[nH+]ccn4c3)CC2)c1 ZINC000593161464 520790011 /nfs/dbraw/zinc/79/00/11/520790011.db2.gz DJELURMUHQCGMY-UHFFFAOYSA-N 2 2 374.448 2.992 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)ccc1CC#N)C2 ZINC001164815088 720176246 /nfs/dbraw/zinc/17/62/46/720176246.db2.gz IABAGXKWBSCFPW-TZIWHRDSSA-N 2 2 354.498 2.641 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)ccc1CC#N)C2 ZINC001164815088 720176255 /nfs/dbraw/zinc/17/62/55/720176255.db2.gz IABAGXKWBSCFPW-TZIWHRDSSA-N 2 2 354.498 2.641 20 30 FFEDLP CCOCCCNC(=[NH2+])NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183890994 729315703 /nfs/dbraw/zinc/31/57/03/729315703.db2.gz AEADGNFCEQPFPV-HNNXBMFYSA-N 2 2 360.424 2.639 20 30 FFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000183890755 729315759 /nfs/dbraw/zinc/31/57/59/729315759.db2.gz VEKYLAFTOMHUDN-CQSZACIVSA-N 2 2 360.449 2.672 20 30 FFEDLP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(N)[nH+]c1 ZINC000902202194 735917324 /nfs/dbraw/zinc/91/73/24/735917324.db2.gz GJDOUUCFBKCFTH-UHFFFAOYSA-N 2 2 358.515 2.762 20 30 FFEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000778188829 738362706 /nfs/dbraw/zinc/36/27/06/738362706.db2.gz JFDQEQCYHCDYAH-OAHLLOKOSA-N 2 2 360.255 2.762 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001105070979 971455326 /nfs/dbraw/zinc/45/53/26/971455326.db2.gz HPERHNLJRYNKPI-MISYRCLQSA-N 2 2 358.530 2.725 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)CC[N@@H+]1C ZINC001095440070 1013381942 /nfs/dbraw/zinc/38/19/42/1013381942.db2.gz SUHZJSVMBLUZET-IFLJBQAJSA-N 2 2 366.509 2.510 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)CC[N@H+]1C ZINC001095440070 1013381951 /nfs/dbraw/zinc/38/19/51/1013381951.db2.gz SUHZJSVMBLUZET-IFLJBQAJSA-N 2 2 366.509 2.510 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC[NH+]1C ZINC001095440070 1013381958 /nfs/dbraw/zinc/38/19/58/1013381958.db2.gz SUHZJSVMBLUZET-IFLJBQAJSA-N 2 2 366.509 2.510 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC[NH+]1C ZINC001095440070 1013381966 /nfs/dbraw/zinc/38/19/66/1013381966.db2.gz SUHZJSVMBLUZET-IFLJBQAJSA-N 2 2 366.509 2.510 20 30 FFEDLP CC[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261940510 964773601 /nfs/dbraw/zinc/77/36/01/964773601.db2.gz DNIKXNSZTKXCIY-GBESFXJTSA-N 3 2 360.550 2.606 20 30 FFEDLP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261940510 964773611 /nfs/dbraw/zinc/77/36/11/964773611.db2.gz DNIKXNSZTKXCIY-GBESFXJTSA-N 3 2 360.550 2.606 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211586675 967569344 /nfs/dbraw/zinc/56/93/44/967569344.db2.gz UGYPIBFCTBAMOX-RBUKOAKNSA-N 2 2 352.482 2.893 20 30 FFEDLP C#CCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162207840 968074863 /nfs/dbraw/zinc/07/48/63/968074863.db2.gz PWAOLPPDHAGEEZ-UXHICEINSA-N 2 2 362.562 2.769 20 30 FFEDLP C#CCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162207840 968074872 /nfs/dbraw/zinc/07/48/72/968074872.db2.gz PWAOLPPDHAGEEZ-UXHICEINSA-N 2 2 362.562 2.769 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ccc2F)[C@@H]1CC ZINC001087607128 968343800 /nfs/dbraw/zinc/34/38/00/968343800.db2.gz MWCZHBXBYQACHV-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ccc2F)[C@@H]1CC ZINC001087607128 968343804 /nfs/dbraw/zinc/34/38/04/968343804.db2.gz MWCZHBXBYQACHV-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2F)[C@@H]1CC ZINC001087607128 968343805 /nfs/dbraw/zinc/34/38/05/968343805.db2.gz MWCZHBXBYQACHV-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2F)[C@@H]1CC ZINC001087607128 968343811 /nfs/dbraw/zinc/34/38/11/968343811.db2.gz MWCZHBXBYQACHV-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001112527765 975097586 /nfs/dbraw/zinc/09/75/86/975097586.db2.gz VGYVLFNPFYHJKT-DOXZYTNZSA-N 2 2 362.905 2.800 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001087438706 977376152 /nfs/dbraw/zinc/37/61/52/977376152.db2.gz LYWNWDJKEZSDOM-KSEOMHKRSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001087438706 977376156 /nfs/dbraw/zinc/37/61/56/977376156.db2.gz LYWNWDJKEZSDOM-KSEOMHKRSA-N 2 2 367.537 2.858 20 30 FFEDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CCC(C#N)CC3)CC2)cc1 ZINC000876900643 1014413763 /nfs/dbraw/zinc/41/37/63/1014413763.db2.gz NLMIJJGNRNMWBN-UHFFFAOYSA-N 2 2 356.514 2.879 20 30 FFEDLP CN(CCC[NH2+]CC#Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268798149 978399966 /nfs/dbraw/zinc/39/99/66/978399966.db2.gz CPLXHFXQIOVYBB-IAGOWNOFSA-N 2 2 370.884 2.656 20 30 FFEDLP CN(CCC[NH2+]CC#Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268798149 978399973 /nfs/dbraw/zinc/39/99/73/978399973.db2.gz CPLXHFXQIOVYBB-IAGOWNOFSA-N 2 2 370.884 2.656 20 30 FFEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000877190730 1014505249 /nfs/dbraw/zinc/50/52/49/1014505249.db2.gz QTTJVORVOFMDGE-IBGZPJMESA-N 2 2 370.884 2.853 20 30 FFEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000877190730 1014505257 /nfs/dbraw/zinc/50/52/57/1014505257.db2.gz QTTJVORVOFMDGE-IBGZPJMESA-N 2 2 370.884 2.853 20 30 FFEDLP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968860868 1014590196 /nfs/dbraw/zinc/59/01/96/1014590196.db2.gz AOAFHPLLUZSKQL-VAMGGRTRSA-N 2 2 368.525 2.538 20 30 FFEDLP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968860868 1014590207 /nfs/dbraw/zinc/59/02/07/1014590207.db2.gz AOAFHPLLUZSKQL-VAMGGRTRSA-N 2 2 368.525 2.538 20 30 FFEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088605595 981423618 /nfs/dbraw/zinc/42/36/18/981423618.db2.gz XQYOWXXWPVUPRT-QMMLZNLJSA-N 2 2 371.500 2.631 20 30 FFEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088605595 981423621 /nfs/dbraw/zinc/42/36/21/981423621.db2.gz XQYOWXXWPVUPRT-QMMLZNLJSA-N 2 2 371.500 2.631 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088605595 981423622 /nfs/dbraw/zinc/42/36/22/981423622.db2.gz XQYOWXXWPVUPRT-QMMLZNLJSA-N 2 2 371.500 2.631 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088605595 981423625 /nfs/dbraw/zinc/42/36/25/981423625.db2.gz XQYOWXXWPVUPRT-QMMLZNLJSA-N 2 2 371.500 2.631 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001107455130 984560510 /nfs/dbraw/zinc/56/05/10/984560510.db2.gz YXOZOMULVBCIEV-WAOWUJCRSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001107455130 984560516 /nfs/dbraw/zinc/56/05/16/984560516.db2.gz YXOZOMULVBCIEV-WAOWUJCRSA-N 2 2 356.514 2.773 20 30 FFEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000151780244 986860537 /nfs/dbraw/zinc/86/05/37/986860537.db2.gz IPXVMCPJKAGKAK-PGRDOPGGSA-N 2 2 364.489 2.768 20 30 FFEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000151780244 986860554 /nfs/dbraw/zinc/86/05/54/986860554.db2.gz IPXVMCPJKAGKAK-PGRDOPGGSA-N 2 2 364.489 2.768 20 30 FFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000651701248 1015334200 /nfs/dbraw/zinc/33/42/00/1015334200.db2.gz KBUQTRPVVCIBAE-QRVBRYPASA-N 2 2 371.529 2.616 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cccc(F)c1 ZINC001079208189 991885576 /nfs/dbraw/zinc/88/55/76/991885576.db2.gz MXUVGNOTTOIDQI-PKOBYXMFSA-N 2 2 356.445 2.560 20 30 FFEDLP C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554366 993159901 /nfs/dbraw/zinc/15/99/01/993159901.db2.gz NDDNXTYWMNCVHG-LVCYWYKZSA-N 2 2 368.525 2.759 20 30 FFEDLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554366 993159904 /nfs/dbraw/zinc/15/99/04/993159904.db2.gz NDDNXTYWMNCVHG-LVCYWYKZSA-N 2 2 368.525 2.759 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1c1ccccc1 ZINC001081135276 993693375 /nfs/dbraw/zinc/69/33/75/993693375.db2.gz OHBQCVQBTIUEDY-BBTUJRGHSA-N 2 2 364.493 2.593 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1c1ccccc1 ZINC001081135276 993693378 /nfs/dbraw/zinc/69/33/78/993693378.db2.gz OHBQCVQBTIUEDY-BBTUJRGHSA-N 2 2 364.493 2.593 20 30 FFEDLP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001054043683 1015931574 /nfs/dbraw/zinc/93/15/74/1015931574.db2.gz GFDLLZYSPUAXIS-GUDVDZBRSA-N 2 2 350.466 2.632 20 30 FFEDLP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001054043683 1015931587 /nfs/dbraw/zinc/93/15/87/1015931587.db2.gz GFDLLZYSPUAXIS-GUDVDZBRSA-N 2 2 350.466 2.632 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346443 996475152 /nfs/dbraw/zinc/47/51/52/996475152.db2.gz JXRJNGBRXQMRRH-ZIFCJYIRSA-N 2 2 365.949 2.926 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346443 996475156 /nfs/dbraw/zinc/47/51/56/996475156.db2.gz JXRJNGBRXQMRRH-ZIFCJYIRSA-N 2 2 365.949 2.926 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346443 996475160 /nfs/dbraw/zinc/47/51/60/996475160.db2.gz JXRJNGBRXQMRRH-ZIFCJYIRSA-N 2 2 365.949 2.926 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346443 996475167 /nfs/dbraw/zinc/47/51/67/996475167.db2.gz JXRJNGBRXQMRRH-ZIFCJYIRSA-N 2 2 365.949 2.926 20 30 FFEDLP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@]2(C)C1 ZINC000826761404 999414977 /nfs/dbraw/zinc/41/49/77/999414977.db2.gz CIIDTUKTRSRAAI-WOJBJXKFSA-N 2 2 372.538 2.711 20 30 FFEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741257578 999717181 /nfs/dbraw/zinc/71/71/81/999717181.db2.gz FNOPVVPNMOESBL-PGRDOPGGSA-N 2 2 365.477 2.704 20 30 FFEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000741257578 999717184 /nfs/dbraw/zinc/71/71/84/999717184.db2.gz FNOPVVPNMOESBL-PGRDOPGGSA-N 2 2 365.477 2.704 20 30 FFEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001171215574 1000218070 /nfs/dbraw/zinc/21/80/70/1000218070.db2.gz AVNDFWJMKCTWQO-MTNREXPMSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001171215574 1000218074 /nfs/dbraw/zinc/21/80/74/1000218074.db2.gz AVNDFWJMKCTWQO-MTNREXPMSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001171215574 1000218079 /nfs/dbraw/zinc/21/80/79/1000218079.db2.gz AVNDFWJMKCTWQO-MTNREXPMSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001171215574 1000218082 /nfs/dbraw/zinc/21/80/82/1000218082.db2.gz AVNDFWJMKCTWQO-MTNREXPMSA-N 2 2 363.509 2.677 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000768675028 1000323309 /nfs/dbraw/zinc/32/33/09/1000323309.db2.gz VYLZRAMYCKHDMB-BPQIPLTHSA-N 2 2 367.534 2.545 20 30 FFEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001112862364 1001788151 /nfs/dbraw/zinc/78/81/51/1001788151.db2.gz HGPALGQNPQPXJD-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)Cc3ccoc3)CC2)cc1 ZINC000883271200 1006723828 /nfs/dbraw/zinc/72/38/28/1006723828.db2.gz HYOUMVJZOMUFEG-FQEVSTJZSA-N 2 2 353.466 2.556 20 30 FFEDLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000819108765 1008037588 /nfs/dbraw/zinc/03/75/88/1008037588.db2.gz NDUFMALZZZYIFK-QFIPXVFZSA-N 2 2 364.493 2.916 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001110741036 1008310080 /nfs/dbraw/zinc/31/00/80/1008310080.db2.gz OISCMSLSDNDOLS-MANSERQUSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001110741036 1008310085 /nfs/dbraw/zinc/31/00/85/1008310085.db2.gz OISCMSLSDNDOLS-MANSERQUSA-N 2 2 356.514 2.913 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(Nc3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000865485590 1010796480 /nfs/dbraw/zinc/79/64/80/1010796480.db2.gz ZPPMXOKMXZCHML-UHFFFAOYSA-N 2 2 361.421 2.576 20 30 FFEDLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)n1cc[nH+]c1 ZINC001094078585 1010838899 /nfs/dbraw/zinc/83/88/99/1010838899.db2.gz CJXHXMWCGTUBKQ-MBOZVWFJSA-N 2 2 365.481 2.590 20 30 FFEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC001094551212 1011276684 /nfs/dbraw/zinc/27/66/84/1011276684.db2.gz BVAZAFIFTSKETL-IFMALSPDSA-N 2 2 362.477 2.870 20 30 FFEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC001094551212 1011276699 /nfs/dbraw/zinc/27/66/99/1011276699.db2.gz BVAZAFIFTSKETL-IFMALSPDSA-N 2 2 362.477 2.870 20 30 FFEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304616 1011737973 /nfs/dbraw/zinc/73/79/73/1011737973.db2.gz OKZOPPJFTSQTMF-SIKLNZKXSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304616 1011737983 /nfs/dbraw/zinc/73/79/83/1011737983.db2.gz OKZOPPJFTSQTMF-SIKLNZKXSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304616 1011737990 /nfs/dbraw/zinc/73/79/90/1011737990.db2.gz OKZOPPJFTSQTMF-SIKLNZKXSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304616 1011738001 /nfs/dbraw/zinc/73/80/01/1011738001.db2.gz OKZOPPJFTSQTMF-SIKLNZKXSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304614 1011738433 /nfs/dbraw/zinc/73/84/33/1011738433.db2.gz OKZOPPJFTSQTMF-DENIHFKCSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304614 1011738441 /nfs/dbraw/zinc/73/84/41/1011738441.db2.gz OKZOPPJFTSQTMF-DENIHFKCSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304614 1011738451 /nfs/dbraw/zinc/73/84/51/1011738451.db2.gz OKZOPPJFTSQTMF-DENIHFKCSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304614 1011738461 /nfs/dbraw/zinc/73/84/61/1011738461.db2.gz OKZOPPJFTSQTMF-DENIHFKCSA-N 2 2 371.525 2.550 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C[C@H]1C#N ZINC001172992310 1012197922 /nfs/dbraw/zinc/19/79/22/1012197922.db2.gz VNZBHVVCDDSJQH-OAGGEKHMSA-N 2 2 359.474 2.814 20 30 FFEDLP C[C@H]1CCCN(C(=[NH2+])NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000303909758 1012517213 /nfs/dbraw/zinc/51/72/13/1012517213.db2.gz YMKBAYINNOKNFX-FQEVSTJZSA-N 2 2 371.573 2.631 20 30 FFEDLP C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001275540069 1012596981 /nfs/dbraw/zinc/59/69/81/1012596981.db2.gz CVIPVOBFXIGCFQ-OAQYLSRUSA-N 2 2 350.466 2.873 20 30 FFEDLP C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001275540069 1012596996 /nfs/dbraw/zinc/59/69/96/1012596996.db2.gz CVIPVOBFXIGCFQ-OAQYLSRUSA-N 2 2 350.466 2.873 20 30 FFEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001095241983 1012817759 /nfs/dbraw/zinc/81/77/59/1012817759.db2.gz BELQZPHPZURFOT-FUMNGEBKSA-N 2 2 371.912 2.507 20 30 FFEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001095241983 1012817767 /nfs/dbraw/zinc/81/77/67/1012817767.db2.gz BELQZPHPZURFOT-FUMNGEBKSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001095241983 1012817791 /nfs/dbraw/zinc/81/77/91/1012817791.db2.gz BELQZPHPZURFOT-FUMNGEBKSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001095241983 1012817810 /nfs/dbraw/zinc/81/78/10/1012817810.db2.gz BELQZPHPZURFOT-FUMNGEBKSA-N 2 2 371.912 2.507 20 30 FFEDLP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(C#N)c1 ZINC001137701145 1032880083 /nfs/dbraw/zinc/88/00/83/1032880083.db2.gz NAYRBTLUUVAHHS-CTNGQTDRSA-N 2 2 362.477 2.916 20 30 FFEDLP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(C#N)c1 ZINC001137701145 1032880088 /nfs/dbraw/zinc/88/00/88/1032880088.db2.gz NAYRBTLUUVAHHS-CTNGQTDRSA-N 2 2 362.477 2.916 20 30 FFEDLP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(C#N)c1 ZINC001137701145 1032880099 /nfs/dbraw/zinc/88/00/99/1032880099.db2.gz NAYRBTLUUVAHHS-CTNGQTDRSA-N 2 2 362.477 2.916 20 30 FFEDLP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(C#N)c1 ZINC001137701145 1032880114 /nfs/dbraw/zinc/88/01/14/1032880114.db2.gz NAYRBTLUUVAHHS-CTNGQTDRSA-N 2 2 362.477 2.916 20 30 FFEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001120496240 1023341524 /nfs/dbraw/zinc/34/15/24/1023341524.db2.gz ZEKDJJMCXABUEL-SFHVURJKSA-N 2 2 363.477 2.559 20 30 FFEDLP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246654265 1026313725 /nfs/dbraw/zinc/31/37/25/1026313725.db2.gz PLKJLTKVYKQKAR-BEFAXECRSA-N 2 2 361.453 2.862 20 30 FFEDLP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246654265 1026313738 /nfs/dbraw/zinc/31/37/38/1026313738.db2.gz PLKJLTKVYKQKAR-BEFAXECRSA-N 2 2 361.453 2.862 20 30 FFEDLP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246654288 1026314108 /nfs/dbraw/zinc/31/41/08/1026314108.db2.gz PLKJLTKVYKQKAR-KXBFYZLASA-N 2 2 361.453 2.862 20 30 FFEDLP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246654288 1026314121 /nfs/dbraw/zinc/31/41/21/1026314121.db2.gz PLKJLTKVYKQKAR-KXBFYZLASA-N 2 2 361.453 2.862 20 30 FFEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000838595138 1026427747 /nfs/dbraw/zinc/42/77/47/1026427747.db2.gz GSTCBEVSNFVWDI-SLFFLAALSA-N 2 2 362.562 2.623 20 30 FFEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000838595138 1026427749 /nfs/dbraw/zinc/42/77/49/1026427749.db2.gz GSTCBEVSNFVWDI-SLFFLAALSA-N 2 2 362.562 2.623 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001112361936 1030659710 /nfs/dbraw/zinc/65/97/10/1030659710.db2.gz OWZMPAXBSKJLOV-AVRDEDQJSA-N 2 2 370.541 2.946 20 30 FFEDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(Oc4ccccc4C#N)C3)cc2)CC1 ZINC001139411562 1035095246 /nfs/dbraw/zinc/09/52/46/1035095246.db2.gz RWUMDAZDNIUHIV-UHFFFAOYSA-N 2 2 362.477 2.573 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001228150993 1035959614 /nfs/dbraw/zinc/95/96/14/1035959614.db2.gz NXWXEHGOPWDHPJ-AQNXPRMDSA-N 2 2 363.546 2.613 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001228150993 1035959624 /nfs/dbraw/zinc/95/96/24/1035959624.db2.gz NXWXEHGOPWDHPJ-AQNXPRMDSA-N 2 2 363.546 2.613 20 30 FFEDLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001228851769 1036358336 /nfs/dbraw/zinc/35/83/36/1036358336.db2.gz CQSYKUVFXCGOHR-PWIZWCRZSA-N 2 2 365.481 2.923 20 30 FFEDLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001228853452 1036360290 /nfs/dbraw/zinc/36/02/90/1036360290.db2.gz PNMOMZWRBNTFLG-BMGDILEWSA-N 2 2 371.510 2.985 20 30 FFEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001229037705 1036467961 /nfs/dbraw/zinc/46/79/61/1036467961.db2.gz NRRHTDASASYZGZ-DUXKGJEZSA-N 2 2 364.493 2.657 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001234385084 1037011250 /nfs/dbraw/zinc/01/12/50/1037011250.db2.gz IUJQJOBJPHAFEO-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001234385084 1037011268 /nfs/dbraw/zinc/01/12/68/1037011268.db2.gz IUJQJOBJPHAFEO-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001277495833 1037498981 /nfs/dbraw/zinc/49/89/81/1037498981.db2.gz JWWCYXRPZOTOSH-QZTJIDSGSA-N 2 2 356.514 2.804 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1C ZINC001207583357 1037577410 /nfs/dbraw/zinc/57/74/10/1037577410.db2.gz QZRAEVYMBYSEDV-FCEUIQTBSA-N 2 2 367.537 2.543 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCc2ccccc2)C[C@H]1C ZINC001207583357 1037577418 /nfs/dbraw/zinc/57/74/18/1037577418.db2.gz QZRAEVYMBYSEDV-FCEUIQTBSA-N 2 2 367.537 2.543 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCc2ccccc2)C[C@H]1C ZINC001207583357 1037577429 /nfs/dbraw/zinc/57/74/29/1037577429.db2.gz QZRAEVYMBYSEDV-FCEUIQTBSA-N 2 2 367.537 2.543 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCc2ccccc2)C[C@H]1C ZINC001207583357 1037577436 /nfs/dbraw/zinc/57/74/36/1037577436.db2.gz QZRAEVYMBYSEDV-FCEUIQTBSA-N 2 2 367.537 2.543 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](C[C@@H]4CCCC[NH2+]4)C3)C2)c1 ZINC001235635250 1037653866 /nfs/dbraw/zinc/65/38/66/1037653866.db2.gz HMEONLWEVQSJAY-UNMCSNQZSA-N 2 2 368.525 2.619 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](C[C@@H]4CCCC[NH2+]4)C3)C2)c1 ZINC001235635250 1037653872 /nfs/dbraw/zinc/65/38/72/1037653872.db2.gz HMEONLWEVQSJAY-UNMCSNQZSA-N 2 2 368.525 2.619 20 30 FFEDLP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC001238414702 1043694580 /nfs/dbraw/zinc/69/45/80/1043694580.db2.gz YELXIBIKMNVKKY-UHFFFAOYSA-N 2 2 358.530 2.806 20 30 FFEDLP C=CCCCNC(=S)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001279938603 1043954532 /nfs/dbraw/zinc/95/45/32/1043954532.db2.gz SYJOHCTUOUZMLW-MOPGFXCFSA-N 2 2 361.559 2.748 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001316812867 1045032478 /nfs/dbraw/zinc/03/24/78/1045032478.db2.gz ROTJFOKXNJPTGC-VQTJNVASSA-N 2 2 368.481 2.511 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1ccc(OC)cc1 ZINC001316812867 1045032485 /nfs/dbraw/zinc/03/24/85/1045032485.db2.gz ROTJFOKXNJPTGC-VQTJNVASSA-N 2 2 368.481 2.511 20 30 FFEDLP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283351669 1046368858 /nfs/dbraw/zinc/36/88/58/1046368858.db2.gz XFOUSZIIGPBDOJ-RTBURBONSA-N 2 2 350.466 2.545 20 30 FFEDLP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283351669 1046368870 /nfs/dbraw/zinc/36/88/70/1046368870.db2.gz XFOUSZIIGPBDOJ-RTBURBONSA-N 2 2 350.466 2.545 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001341748942 1050366379 /nfs/dbraw/zinc/36/63/79/1050366379.db2.gz APWSUKIBKDXZHX-GOSISDBHSA-N 2 2 358.534 2.515 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001342533402 1051136771 /nfs/dbraw/zinc/13/67/71/1051136771.db2.gz PNPSHSLWKSXFIA-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001343415236 1052216451 /nfs/dbraw/zinc/21/64/51/1052216451.db2.gz BICFLHZZTKFXCF-LJQANCHMSA-N 2 2 372.561 2.762 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001343552845 1052301731 /nfs/dbraw/zinc/30/17/31/1052301731.db2.gz DWCWHMGKLPRRKW-MSOLQXFVSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001343552845 1052301733 /nfs/dbraw/zinc/30/17/33/1052301733.db2.gz DWCWHMGKLPRRKW-MSOLQXFVSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001515297702 1059512951 /nfs/dbraw/zinc/51/29/51/1059512951.db2.gz WTQLBXQNDHBITQ-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001515297702 1059512972 /nfs/dbraw/zinc/51/29/72/1059512972.db2.gz WTQLBXQNDHBITQ-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001523796550 1062628188 /nfs/dbraw/zinc/62/81/88/1062628188.db2.gz LHMXXNVQIRSPCE-GOSISDBHSA-N 2 2 358.534 2.515 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001565885274 1076780648 /nfs/dbraw/zinc/78/06/48/1076780648.db2.gz URFVKVZFNIOJFD-VQTJNVASSA-N 2 2 352.482 2.824 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001565885274 1076780650 /nfs/dbraw/zinc/78/06/50/1076780650.db2.gz URFVKVZFNIOJFD-VQTJNVASSA-N 2 2 352.482 2.824 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000106214572 250257393 /nfs/dbraw/zinc/25/73/93/250257393.db2.gz NBLRMHVKYXIKQY-RBUKOAKNSA-N 2 2 363.465 2.760 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000106214572 250257396 /nfs/dbraw/zinc/25/73/96/250257396.db2.gz NBLRMHVKYXIKQY-RBUKOAKNSA-N 2 2 363.465 2.760 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000289472747 257282883 /nfs/dbraw/zinc/28/28/83/257282883.db2.gz XFANTSARDXXRTP-UHFFFAOYSA-N 2 2 350.422 2.744 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000373104771 512173624 /nfs/dbraw/zinc/17/36/24/512173624.db2.gz RHCCLTBCYSWVSI-KRWDZBQOSA-N 2 2 351.454 2.546 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000373104771 512173628 /nfs/dbraw/zinc/17/36/28/512173628.db2.gz RHCCLTBCYSWVSI-KRWDZBQOSA-N 2 2 351.454 2.546 20 30 FFEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000410393297 512252588 /nfs/dbraw/zinc/25/25/88/512252588.db2.gz VKJWVJMRRAWOFS-UNMCSNQZSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000410393297 512252595 /nfs/dbraw/zinc/25/25/95/512252595.db2.gz VKJWVJMRRAWOFS-UNMCSNQZSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000410393297 512252598 /nfs/dbraw/zinc/25/25/98/512252598.db2.gz VKJWVJMRRAWOFS-UNMCSNQZSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000410393297 512252604 /nfs/dbraw/zinc/25/26/04/512252604.db2.gz VKJWVJMRRAWOFS-UNMCSNQZSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000045796855 507022098 /nfs/dbraw/zinc/02/20/98/507022098.db2.gz MUIPJBXVQYMMBC-UHFFFAOYSA-N 2 2 364.493 2.809 20 30 FFEDLP C=CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000045796855 507022101 /nfs/dbraw/zinc/02/21/01/507022101.db2.gz MUIPJBXVQYMMBC-UHFFFAOYSA-N 2 2 364.493 2.809 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)CC1 ZINC000057154331 507188037 /nfs/dbraw/zinc/18/80/37/507188037.db2.gz VXZZNQBWOVIFEZ-GOSISDBHSA-N 2 2 370.884 2.624 20 30 FFEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324745 512351790 /nfs/dbraw/zinc/35/17/90/512351790.db2.gz FVJLHJBAIOJARJ-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324745 512351795 /nfs/dbraw/zinc/35/17/95/512351795.db2.gz FVJLHJBAIOJARJ-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324745 512351801 /nfs/dbraw/zinc/35/18/01/512351801.db2.gz FVJLHJBAIOJARJ-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324745 512351806 /nfs/dbraw/zinc/35/18/06/512351806.db2.gz FVJLHJBAIOJARJ-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324746 512352234 /nfs/dbraw/zinc/35/22/34/512352234.db2.gz FVJLHJBAIOJARJ-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324746 512352236 /nfs/dbraw/zinc/35/22/36/512352236.db2.gz FVJLHJBAIOJARJ-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324746 512352238 /nfs/dbraw/zinc/35/22/38/512352238.db2.gz FVJLHJBAIOJARJ-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324746 512352241 /nfs/dbraw/zinc/35/22/41/512352241.db2.gz FVJLHJBAIOJARJ-WIYYLYMNSA-N 2 2 368.525 2.761 20 30 FFEDLP Cc1cc(N2CC[NH+](CCOc3cccc(C#N)c3)CC2)nc(C(C)C)[nH+]1 ZINC000051593614 507777424 /nfs/dbraw/zinc/77/74/24/507777424.db2.gz IWCFFJQZOANPCC-UHFFFAOYSA-N 2 2 365.481 2.981 20 30 FFEDLP CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373501351 512363799 /nfs/dbraw/zinc/36/37/99/512363799.db2.gz IKZSXADYCWRYSQ-HXUWFJFHSA-N 2 2 368.525 2.728 20 30 FFEDLP CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373501351 512363803 /nfs/dbraw/zinc/36/38/03/512363803.db2.gz IKZSXADYCWRYSQ-HXUWFJFHSA-N 2 2 368.525 2.728 20 30 FFEDLP C#CC[NH+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000073877593 507963626 /nfs/dbraw/zinc/96/36/26/507963626.db2.gz TYWRTDUSXGOZLQ-UHFFFAOYSA-N 2 2 369.538 2.659 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC)c1 ZINC000080959181 508117129 /nfs/dbraw/zinc/11/71/29/508117129.db2.gz OVAGMQMZBJOTIU-ROUUACIJSA-N 2 2 371.481 2.766 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC)c1 ZINC000080959181 508117131 /nfs/dbraw/zinc/11/71/31/508117131.db2.gz OVAGMQMZBJOTIU-ROUUACIJSA-N 2 2 371.481 2.766 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2cc(C#N)cs2)CC1)Cc1ccccc1 ZINC000093105017 508121711 /nfs/dbraw/zinc/12/17/11/508121711.db2.gz JVBZNHBPAVLLHA-UHFFFAOYSA-N 2 2 354.523 2.869 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2cc(C#N)cs2)CC1)Cc1ccccc1 ZINC000093105017 508121713 /nfs/dbraw/zinc/12/17/13/508121713.db2.gz JVBZNHBPAVLLHA-UHFFFAOYSA-N 2 2 354.523 2.869 20 30 FFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147219 508124890 /nfs/dbraw/zinc/12/48/90/508124890.db2.gz SRGBBVMWYZRROR-QUCCMNQESA-N 2 2 356.514 2.579 20 30 FFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093147219 508124892 /nfs/dbraw/zinc/12/48/92/508124892.db2.gz SRGBBVMWYZRROR-QUCCMNQESA-N 2 2 356.514 2.579 20 30 FFEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083033090 508234356 /nfs/dbraw/zinc/23/43/56/508234356.db2.gz MHHYCHFIAXMVLS-KRWDZBQOSA-N 2 2 362.437 2.504 20 30 FFEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000156981090 508505702 /nfs/dbraw/zinc/50/57/02/508505702.db2.gz DIFASNDGOUMJOE-XJABCFGWSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000156981090 508505705 /nfs/dbraw/zinc/50/57/05/508505705.db2.gz DIFASNDGOUMJOE-XJABCFGWSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000156981090 508505712 /nfs/dbraw/zinc/50/57/12/508505712.db2.gz DIFASNDGOUMJOE-XJABCFGWSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000156981090 508505716 /nfs/dbraw/zinc/50/57/16/508505716.db2.gz DIFASNDGOUMJOE-XJABCFGWSA-N 2 2 368.525 2.780 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156994100 508508098 /nfs/dbraw/zinc/50/80/98/508508098.db2.gz ICYLVHYYBKYJCQ-QUCCMNQESA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156994100 508508102 /nfs/dbraw/zinc/50/81/02/508508102.db2.gz ICYLVHYYBKYJCQ-QUCCMNQESA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156994100 508508104 /nfs/dbraw/zinc/50/81/04/508508104.db2.gz ICYLVHYYBKYJCQ-QUCCMNQESA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156994100 508508108 /nfs/dbraw/zinc/50/81/08/508508108.db2.gz ICYLVHYYBKYJCQ-QUCCMNQESA-N 2 2 356.514 2.733 20 30 FFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123654664 508721176 /nfs/dbraw/zinc/72/11/76/508721176.db2.gz SEVVPGVLAJMWRO-JKSUJKDBSA-N 2 2 351.454 2.573 20 30 FFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123654664 508721180 /nfs/dbraw/zinc/72/11/80/508721180.db2.gz SEVVPGVLAJMWRO-JKSUJKDBSA-N 2 2 351.454 2.573 20 30 FFEDLP COC(=O)[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000179755398 509606080 /nfs/dbraw/zinc/60/60/80/509606080.db2.gz SJZVNSJYNSVJIR-HXUWFJFHSA-N 2 2 364.449 2.674 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139390 510315296 /nfs/dbraw/zinc/31/52/96/510315296.db2.gz DAIMWGRMFRCEHD-LSNYBQGISA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139390 510315300 /nfs/dbraw/zinc/31/53/00/510315300.db2.gz DAIMWGRMFRCEHD-LSNYBQGISA-N 2 2 360.546 2.723 20 30 FFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246310131 510419293 /nfs/dbraw/zinc/41/92/93/510419293.db2.gz ZFQIYDRYBBKIME-LSNYBQGISA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246310131 510419299 /nfs/dbraw/zinc/41/92/99/510419299.db2.gz ZFQIYDRYBBKIME-LSNYBQGISA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246310131 510419306 /nfs/dbraw/zinc/41/93/06/510419306.db2.gz ZFQIYDRYBBKIME-LSNYBQGISA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246310131 510419314 /nfs/dbraw/zinc/41/93/14/510419314.db2.gz ZFQIYDRYBBKIME-LSNYBQGISA-N 2 2 362.562 2.969 20 30 FFEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C#N ZINC000266150702 510434007 /nfs/dbraw/zinc/43/40/07/510434007.db2.gz KGUYIFBUMPYUOD-RTWAWAEBSA-N 2 2 365.477 2.539 20 30 FFEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C#N ZINC000266150702 510434013 /nfs/dbraw/zinc/43/40/13/510434013.db2.gz KGUYIFBUMPYUOD-RTWAWAEBSA-N 2 2 365.477 2.539 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178327826 510549346 /nfs/dbraw/zinc/54/93/46/510549346.db2.gz ZLABXXZJGUZFGM-PMACEKPBSA-N 2 2 355.482 2.824 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178327826 510549351 /nfs/dbraw/zinc/54/93/51/510549351.db2.gz ZLABXXZJGUZFGM-PMACEKPBSA-N 2 2 355.482 2.824 20 30 FFEDLP N#CCCN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246893382 510730910 /nfs/dbraw/zinc/73/09/10/510730910.db2.gz RCFXUCCUMLOSCW-RXVVDRJESA-N 2 2 366.509 2.882 20 30 FFEDLP N#CCCN(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246893382 510730912 /nfs/dbraw/zinc/73/09/12/510730912.db2.gz RCFXUCCUMLOSCW-RXVVDRJESA-N 2 2 366.509 2.882 20 30 FFEDLP N#CCCN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246893382 510730914 /nfs/dbraw/zinc/73/09/14/510730914.db2.gz RCFXUCCUMLOSCW-RXVVDRJESA-N 2 2 366.509 2.882 20 30 FFEDLP N#CCCN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246893382 510730916 /nfs/dbraw/zinc/73/09/16/510730916.db2.gz RCFXUCCUMLOSCW-RXVVDRJESA-N 2 2 366.509 2.882 20 30 FFEDLP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N4CCCCCC4)[nH+]c3)C2)C1 ZINC000330185507 510932558 /nfs/dbraw/zinc/93/25/58/510932558.db2.gz RINRPEQSHOLGJM-NRFANRHFSA-N 2 2 371.529 2.904 20 30 FFEDLP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N4CCCCCC4)[nH+]c3)C2)C1 ZINC000330185507 510932562 /nfs/dbraw/zinc/93/25/62/510932562.db2.gz RINRPEQSHOLGJM-NRFANRHFSA-N 2 2 371.529 2.904 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277186244 510956053 /nfs/dbraw/zinc/95/60/53/510956053.db2.gz LONNBFKSUJTQBL-SJLPKXTDSA-N 2 2 360.477 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277186244 510956056 /nfs/dbraw/zinc/95/60/56/510956056.db2.gz LONNBFKSUJTQBL-SJLPKXTDSA-N 2 2 360.477 2.877 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277371180 510961446 /nfs/dbraw/zinc/96/14/46/510961446.db2.gz XPWYQSYRHPSEOD-ROUUACIJSA-N 2 2 372.513 2.746 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277371180 510961451 /nfs/dbraw/zinc/96/14/51/510961451.db2.gz XPWYQSYRHPSEOD-ROUUACIJSA-N 2 2 372.513 2.746 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[N@@H+]1C1CC1 ZINC000278602446 511000597 /nfs/dbraw/zinc/00/05/97/511000597.db2.gz IALXCQRTEZHTKM-CRAIPNDOSA-N 2 2 350.470 2.574 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[N@H+]1C1CC1 ZINC000278602446 511000602 /nfs/dbraw/zinc/00/06/02/511000602.db2.gz IALXCQRTEZHTKM-CRAIPNDOSA-N 2 2 350.470 2.574 20 30 FFEDLP CC(C)[NH+]1CCC([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000279532233 511117343 /nfs/dbraw/zinc/11/73/43/511117343.db2.gz RNRWGPLNTUPFIX-FQEVSTJZSA-N 2 2 354.498 2.858 20 30 FFEDLP CC(C)[NH+]1CCC([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000279532233 511117345 /nfs/dbraw/zinc/11/73/45/511117345.db2.gz RNRWGPLNTUPFIX-FQEVSTJZSA-N 2 2 354.498 2.858 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292862106 511749135 /nfs/dbraw/zinc/74/91/35/511749135.db2.gz CMZAZVDOPGVDAO-KUHUBIRLSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292862106 511749140 /nfs/dbraw/zinc/74/91/40/511749140.db2.gz CMZAZVDOPGVDAO-KUHUBIRLSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292862106 511749146 /nfs/dbraw/zinc/74/91/46/511749146.db2.gz CMZAZVDOPGVDAO-KUHUBIRLSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292862106 511749153 /nfs/dbraw/zinc/74/91/53/511749153.db2.gz CMZAZVDOPGVDAO-KUHUBIRLSA-N 2 2 360.889 2.956 20 30 FFEDLP C#CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824509 511790345 /nfs/dbraw/zinc/79/03/45/511790345.db2.gz QQEGOJXZNGACGH-NHCUHLMSSA-N 2 2 368.525 2.561 20 30 FFEDLP C#CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824509 511790353 /nfs/dbraw/zinc/79/03/53/511790353.db2.gz QQEGOJXZNGACGH-NHCUHLMSSA-N 2 2 368.525 2.561 20 30 FFEDLP Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000281422852 511842215 /nfs/dbraw/zinc/84/22/15/511842215.db2.gz YCHCZIFHPPXSHA-WOJBJXKFSA-N 2 2 372.513 2.869 20 30 FFEDLP Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000281422852 511842223 /nfs/dbraw/zinc/84/22/23/511842223.db2.gz YCHCZIFHPPXSHA-WOJBJXKFSA-N 2 2 372.513 2.869 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000328657936 511910447 /nfs/dbraw/zinc/91/04/47/511910447.db2.gz QBPVZWTUPIQKGD-QGZVFWFLSA-N 3 2 373.545 2.840 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000328657936 511910453 /nfs/dbraw/zinc/91/04/53/511910453.db2.gz QBPVZWTUPIQKGD-QGZVFWFLSA-N 3 2 373.545 2.840 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CCC2 ZINC000328657775 511911674 /nfs/dbraw/zinc/91/16/74/511911674.db2.gz PTARALMEIKVSFC-KONPQCLYSA-N 2 2 361.534 2.939 20 30 FFEDLP C[NH+]1CCC([C@@H]2CCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C2)CC1 ZINC000328774129 511929154 /nfs/dbraw/zinc/92/91/54/511929154.db2.gz KERFKIPPMDTRGU-LJQANCHMSA-N 2 2 367.497 2.950 20 30 FFEDLP C[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[NH+]1CCSCC1 ZINC000328944104 511955193 /nfs/dbraw/zinc/95/51/93/511955193.db2.gz JDIXSDUKWNYNIW-ZIAGYGMSSA-N 2 2 350.532 2.889 20 30 FFEDLP CCC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000329813922 512100305 /nfs/dbraw/zinc/10/03/05/512100305.db2.gz TZQJQIZUDRADFS-UHFFFAOYSA-N 2 2 360.502 2.719 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209794 512708610 /nfs/dbraw/zinc/70/86/10/512708610.db2.gz CXTLKFWUXSFPMJ-UHFFFAOYSA-N 2 2 355.467 2.843 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000398027100 512953485 /nfs/dbraw/zinc/95/34/85/512953485.db2.gz MCWKVDYFNZPPDJ-UIFIKXQLSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000398027100 512953491 /nfs/dbraw/zinc/95/34/91/512953491.db2.gz MCWKVDYFNZPPDJ-UIFIKXQLSA-N 2 2 365.477 2.551 20 30 FFEDLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(C#N)c(F)c3)[nH+]c2)CC1 ZINC000421345876 513232159 /nfs/dbraw/zinc/23/21/59/513232159.db2.gz XXBQVRGQDBQGKH-UHFFFAOYSA-N 2 2 353.445 2.657 20 30 FFEDLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000461789728 514738931 /nfs/dbraw/zinc/73/89/31/514738931.db2.gz DPQIJXZRMMGXBL-SFHVURJKSA-N 2 2 371.529 2.506 20 30 FFEDLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000461789728 514738941 /nfs/dbraw/zinc/73/89/41/514738941.db2.gz DPQIJXZRMMGXBL-SFHVURJKSA-N 2 2 371.529 2.506 20 30 FFEDLP C=CCOc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1OC ZINC000508515909 514805801 /nfs/dbraw/zinc/80/58/01/514805801.db2.gz HWDYZUSUZROGPG-UHFFFAOYSA-N 2 2 350.422 2.934 20 30 FFEDLP C=CCC1(CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCC1 ZINC000459057887 515291250 /nfs/dbraw/zinc/29/12/50/515291250.db2.gz YZIQJGVLTOQACZ-GOSISDBHSA-N 2 2 362.562 2.933 20 30 FFEDLP C=CCC1(CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CCCC1 ZINC000459057887 515291259 /nfs/dbraw/zinc/29/12/59/515291259.db2.gz YZIQJGVLTOQACZ-GOSISDBHSA-N 2 2 362.562 2.933 20 30 FFEDLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2c1 ZINC000540942200 516787514 /nfs/dbraw/zinc/78/75/14/516787514.db2.gz BTOCHMOAIJOYNG-IBGZPJMESA-N 2 2 359.433 2.800 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060289 517888305 /nfs/dbraw/zinc/88/83/05/517888305.db2.gz ALSVKZDXFGTTKB-PXNSSMCTSA-N 2 2 359.518 2.818 20 30 FFEDLP N#Cc1csc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)n1 ZINC000567092483 518347695 /nfs/dbraw/zinc/34/76/95/518347695.db2.gz KLUFQERRZBZBKY-UHFFFAOYSA-N 2 2 363.450 2.685 20 30 FFEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000575999254 518382486 /nfs/dbraw/zinc/38/24/86/518382486.db2.gz CYJWJOSZHFADHU-AZUAARDMSA-N 2 2 372.513 2.620 20 30 FFEDLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1cccc(F)c1 ZINC000567429418 518518113 /nfs/dbraw/zinc/51/81/13/518518113.db2.gz MLOKAOCRXOLNOH-UHFFFAOYSA-N 2 2 351.429 2.909 20 30 FFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000573754516 518819410 /nfs/dbraw/zinc/81/94/10/518819410.db2.gz ZLXGXECQWLTHPE-UHFFFAOYSA-N 2 2 358.449 2.770 20 30 FFEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000573886497 518881617 /nfs/dbraw/zinc/88/16/17/518881617.db2.gz QLYSBISOUBUVQS-INIZCTEOSA-N 2 2 355.404 2.759 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000573972437 518925733 /nfs/dbraw/zinc/92/57/33/518925733.db2.gz LGORKKPHQBOJLQ-MAUKXSAKSA-N 2 2 360.458 2.693 20 30 FFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000573972437 518925737 /nfs/dbraw/zinc/92/57/37/518925737.db2.gz LGORKKPHQBOJLQ-MAUKXSAKSA-N 2 2 360.458 2.693 20 30 FFEDLP N#Cc1ccccc1OC1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000577856998 519292017 /nfs/dbraw/zinc/29/20/17/519292017.db2.gz WWCFYHRZZKNIHM-RRIIRSAJSA-N 2 2 355.482 2.605 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602975710 520000484 /nfs/dbraw/zinc/00/04/84/520000484.db2.gz GHPBMHBIHRLXDB-RXVVDRJESA-N 2 2 368.525 2.700 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602975710 520000489 /nfs/dbraw/zinc/00/04/89/520000489.db2.gz GHPBMHBIHRLXDB-RXVVDRJESA-N 2 2 368.525 2.700 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609635672 520389992 /nfs/dbraw/zinc/38/99/92/520389992.db2.gz FNHMKJRJNQSNKZ-LPHOPBHVSA-N 2 2 369.444 2.994 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609635672 520389996 /nfs/dbraw/zinc/38/99/96/520389996.db2.gz FNHMKJRJNQSNKZ-LPHOPBHVSA-N 2 2 369.444 2.994 20 30 FFEDLP CCc1ccc([C@@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)[NH+](C)C)cc1 ZINC000600716507 520418986 /nfs/dbraw/zinc/41/89/86/520418986.db2.gz YFBMDYWSWDJKFX-LEWJYISDSA-N 2 2 367.493 2.753 20 30 FFEDLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592747271 520555916 /nfs/dbraw/zinc/55/59/16/520555916.db2.gz UBPFCPXNYNMYAB-KRWDZBQOSA-N 2 2 365.481 2.613 20 30 FFEDLP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000610604060 520762226 /nfs/dbraw/zinc/76/22/26/520762226.db2.gz NSAQACJYROZBOT-RTWAWAEBSA-N 2 2 366.509 2.501 20 30 FFEDLP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000610604060 520762231 /nfs/dbraw/zinc/76/22/31/520762231.db2.gz NSAQACJYROZBOT-RTWAWAEBSA-N 2 2 366.509 2.501 20 30 FFEDLP N#Cc1cnccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595906071 520813500 /nfs/dbraw/zinc/81/35/00/520813500.db2.gz WDGVNCUZAJLIAN-UHFFFAOYSA-N 2 2 350.470 2.523 20 30 FFEDLP N#Cc1cnccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595906071 520813508 /nfs/dbraw/zinc/81/35/08/520813508.db2.gz WDGVNCUZAJLIAN-UHFFFAOYSA-N 2 2 350.470 2.523 20 30 FFEDLP Cc1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596166766 520946859 /nfs/dbraw/zinc/94/68/59/520946859.db2.gz CFAKWZHYEJCGLX-UHFFFAOYSA-N 2 2 371.485 2.770 20 30 FFEDLP Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C#N)c1C ZINC000614741222 521117621 /nfs/dbraw/zinc/11/76/21/521117621.db2.gz WVECPDHXCOAKRL-OAHLLOKOSA-N 2 2 367.453 2.729 20 30 FFEDLP Cc1oc(NC(=O)C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C#N)c1C ZINC000614741222 521117629 /nfs/dbraw/zinc/11/76/29/521117629.db2.gz WVECPDHXCOAKRL-OAHLLOKOSA-N 2 2 367.453 2.729 20 30 FFEDLP Cc1cn2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2[nH+]1 ZINC000602087449 521134449 /nfs/dbraw/zinc/13/44/49/521134449.db2.gz GZZZMNUVKMHCFN-UHFFFAOYSA-N 2 2 361.449 2.718 20 30 FFEDLP N#CCC1(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000602766390 521521823 /nfs/dbraw/zinc/52/18/23/521521823.db2.gz RLNRATIXKGWCAY-LJQANCHMSA-N 2 2 353.514 2.609 20 30 FFEDLP N#CCC1(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000602766390 521521828 /nfs/dbraw/zinc/52/18/28/521521828.db2.gz RLNRATIXKGWCAY-LJQANCHMSA-N 2 2 353.514 2.609 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001164815009 720153624 /nfs/dbraw/zinc/15/36/24/720153624.db2.gz GMZHNCGJFJRURD-DYESRHJHSA-N 2 2 365.481 2.619 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001164815009 720153639 /nfs/dbraw/zinc/15/36/39/720153639.db2.gz GMZHNCGJFJRURD-DYESRHJHSA-N 2 2 365.481 2.619 20 30 FFEDLP C=CCSc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681622876 734012426 /nfs/dbraw/zinc/01/24/26/734012426.db2.gz NCVAPLQBERBTAG-INIZCTEOSA-N 2 2 359.539 2.863 20 30 FFEDLP C=CCSc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681622876 734012428 /nfs/dbraw/zinc/01/24/28/734012428.db2.gz NCVAPLQBERBTAG-INIZCTEOSA-N 2 2 359.539 2.863 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000730098144 734615020 /nfs/dbraw/zinc/61/50/20/734615020.db2.gz XJROMZPLNDYGON-OALUTQOASA-N 2 2 359.901 2.691 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000730098144 734615021 /nfs/dbraw/zinc/61/50/21/734615021.db2.gz XJROMZPLNDYGON-OALUTQOASA-N 2 2 359.901 2.691 20 30 FFEDLP C=CC[C@@H]([NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1)C(=O)OC ZINC000905760937 736394752 /nfs/dbraw/zinc/39/47/52/736394752.db2.gz VNMOCRZYEUTAHH-MRXNPFEDSA-N 2 2 351.516 2.625 20 30 FFEDLP C#CCC1([NH2+]CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CCC1 ZINC000933296990 739600193 /nfs/dbraw/zinc/60/01/93/739600193.db2.gz URHSGWYVZWMLEM-UHFFFAOYSA-N 2 2 360.527 2.849 20 30 FFEDLP C=CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807571850 741142262 /nfs/dbraw/zinc/14/22/62/741142262.db2.gz QWGGOQKUNMWBON-IBGZPJMESA-N 2 2 350.551 2.933 20 30 FFEDLP C=CCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807571850 741142263 /nfs/dbraw/zinc/14/22/63/741142263.db2.gz QWGGOQKUNMWBON-IBGZPJMESA-N 2 2 350.551 2.933 20 30 FFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001105071171 971455307 /nfs/dbraw/zinc/45/53/07/971455307.db2.gz LZGAZYHCSVHFRK-ZTFGCOKTSA-N 2 2 364.921 2.511 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974602469 972035911 /nfs/dbraw/zinc/03/59/11/972035911.db2.gz LOHJIYBYUAAKMD-GUDVDZBRSA-N 2 2 370.541 2.947 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974602469 972035915 /nfs/dbraw/zinc/03/59/15/972035915.db2.gz LOHJIYBYUAAKMD-GUDVDZBRSA-N 2 2 370.541 2.947 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001104452674 967327220 /nfs/dbraw/zinc/32/72/20/967327220.db2.gz PYUCLHKJDUIKDY-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001104452674 967327228 /nfs/dbraw/zinc/32/72/28/967327228.db2.gz PYUCLHKJDUIKDY-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000657863473 968100691 /nfs/dbraw/zinc/10/06/91/968100691.db2.gz JFEYUFFGVBRHLC-RTBURBONSA-N 2 2 356.514 2.845 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1c1ccccc1 ZINC001211623391 968168872 /nfs/dbraw/zinc/16/88/72/968168872.db2.gz FDOQECQXUHLOEF-VQTJNVASSA-N 2 2 365.477 2.793 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(CC)c2)[C@@H]1CC ZINC001087607022 968341216 /nfs/dbraw/zinc/34/12/16/968341216.db2.gz GNAYVGFEPZXGCM-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(CC)c2)[C@@H]1CC ZINC001087607022 968341223 /nfs/dbraw/zinc/34/12/23/968341223.db2.gz GNAYVGFEPZXGCM-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(CC)c2)[C@@H]1CC ZINC001087607022 968341228 /nfs/dbraw/zinc/34/12/28/968341228.db2.gz GNAYVGFEPZXGCM-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(CC)c2)[C@@H]1CC ZINC001087607022 968341238 /nfs/dbraw/zinc/34/12/38/968341238.db2.gz GNAYVGFEPZXGCM-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365665423 970533222 /nfs/dbraw/zinc/53/32/22/970533222.db2.gz PEYKLMMSALFXRM-ROUUACIJSA-N 2 2 365.481 2.935 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365665423 970533232 /nfs/dbraw/zinc/53/32/32/970533232.db2.gz PEYKLMMSALFXRM-ROUUACIJSA-N 2 2 365.481 2.935 20 30 FFEDLP C=CC[C@@]1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CCC[NH2+]1 ZINC000662718146 973756159 /nfs/dbraw/zinc/75/61/59/973756159.db2.gz GVJKGFKAUYUPOF-UWJYYQICSA-N 2 2 357.498 2.599 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088791642 976303526 /nfs/dbraw/zinc/30/35/26/976303526.db2.gz SYHAKUYSOMNUNY-XLIONFOSSA-N 2 2 371.500 2.631 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088791642 976303537 /nfs/dbraw/zinc/30/35/37/976303537.db2.gz SYHAKUYSOMNUNY-XLIONFOSSA-N 2 2 371.500 2.631 20 30 FFEDLP C[NH+]=C(NCC[N@H+](C)C1CCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261661323 977443004 /nfs/dbraw/zinc/44/30/04/977443004.db2.gz AUHJIPIOQHJSMD-PKOBYXMFSA-N 3 2 360.550 2.606 20 30 FFEDLP C[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261661323 977443011 /nfs/dbraw/zinc/44/30/11/977443011.db2.gz AUHJIPIOQHJSMD-PKOBYXMFSA-N 3 2 360.550 2.606 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087459759 977983173 /nfs/dbraw/zinc/98/31/73/977983173.db2.gz WHBLIPOMQFVELU-UYAOXDASSA-N 2 2 370.472 2.950 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087459759 977983177 /nfs/dbraw/zinc/98/31/77/977983177.db2.gz WHBLIPOMQFVELU-UYAOXDASSA-N 2 2 370.472 2.950 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088563291 981121465 /nfs/dbraw/zinc/12/14/65/981121465.db2.gz LDEMRQNQJIOAHL-FHLIZLRMSA-N 2 2 360.527 2.572 20 30 FFEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088563291 981121468 /nfs/dbraw/zinc/12/14/68/981121468.db2.gz LDEMRQNQJIOAHL-FHLIZLRMSA-N 2 2 360.527 2.572 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088563291 981121469 /nfs/dbraw/zinc/12/14/69/981121469.db2.gz LDEMRQNQJIOAHL-FHLIZLRMSA-N 2 2 360.527 2.572 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088563291 981121472 /nfs/dbraw/zinc/12/14/72/981121472.db2.gz LDEMRQNQJIOAHL-FHLIZLRMSA-N 2 2 360.527 2.572 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088564031 981126153 /nfs/dbraw/zinc/12/61/53/981126153.db2.gz SFJBAYOKRDMJDJ-LSTHTHJFSA-N 2 2 354.498 2.510 20 30 FFEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088564031 981126154 /nfs/dbraw/zinc/12/61/54/981126154.db2.gz SFJBAYOKRDMJDJ-LSTHTHJFSA-N 2 2 354.498 2.510 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088564031 981126156 /nfs/dbraw/zinc/12/61/56/981126156.db2.gz SFJBAYOKRDMJDJ-LSTHTHJFSA-N 2 2 354.498 2.510 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088564031 981126159 /nfs/dbraw/zinc/12/61/59/981126159.db2.gz SFJBAYOKRDMJDJ-LSTHTHJFSA-N 2 2 354.498 2.510 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569504 981151549 /nfs/dbraw/zinc/15/15/49/981151549.db2.gz XDRPGFQHKXADRJ-NUJGCVRESA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569504 981151552 /nfs/dbraw/zinc/15/15/52/981151552.db2.gz XDRPGFQHKXADRJ-NUJGCVRESA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569504 981151558 /nfs/dbraw/zinc/15/15/58/981151558.db2.gz XDRPGFQHKXADRJ-NUJGCVRESA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569504 981151562 /nfs/dbraw/zinc/15/15/62/981151562.db2.gz XDRPGFQHKXADRJ-NUJGCVRESA-N 2 2 353.938 2.973 20 30 FFEDLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)c[nH+]1 ZINC001088656747 982214823 /nfs/dbraw/zinc/21/48/23/982214823.db2.gz DRJLFFYKENBFFY-APWZRJJASA-N 2 2 365.481 2.578 20 30 FFEDLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)c[nH+]1 ZINC001088656747 982214829 /nfs/dbraw/zinc/21/48/29/982214829.db2.gz DRJLFFYKENBFFY-APWZRJJASA-N 2 2 365.481 2.578 20 30 FFEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445186 984546661 /nfs/dbraw/zinc/54/66/61/984546661.db2.gz OATCNORKRQDFHP-QKNQBKEWSA-N 2 2 356.514 2.854 20 30 FFEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445186 984546666 /nfs/dbraw/zinc/54/66/66/984546666.db2.gz OATCNORKRQDFHP-QKNQBKEWSA-N 2 2 356.514 2.854 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001107552135 984681166 /nfs/dbraw/zinc/68/11/66/984681166.db2.gz GJJDVXNWVMXXEU-VGUOSERISA-N 2 2 356.514 2.851 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001107552135 984681170 /nfs/dbraw/zinc/68/11/70/984681170.db2.gz GJJDVXNWVMXXEU-VGUOSERISA-N 2 2 356.514 2.851 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088891112 985342655 /nfs/dbraw/zinc/34/26/55/985342655.db2.gz CYWHYARXVXYHPU-APWZRJJASA-N 2 2 365.481 2.657 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC001088891112 985342660 /nfs/dbraw/zinc/34/26/60/985342660.db2.gz CYWHYARXVXYHPU-APWZRJJASA-N 2 2 365.481 2.657 20 30 FFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCOc2ccc(C#N)cc2)cc1 ZINC000747839074 995625639 /nfs/dbraw/zinc/62/56/39/995625639.db2.gz XIVORCZDYPFHHG-UHFFFAOYSA-N 2 2 352.438 2.726 20 30 FFEDLP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1 ZINC000826761402 999414677 /nfs/dbraw/zinc/41/46/77/999414677.db2.gz CIIDTUKTRSRAAI-BGYRXZFFSA-N 2 2 372.538 2.711 20 30 FFEDLP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1 ZINC000826761402 999414679 /nfs/dbraw/zinc/41/46/79/999414679.db2.gz CIIDTUKTRSRAAI-BGYRXZFFSA-N 2 2 372.538 2.711 20 30 FFEDLP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1 ZINC000826761402 999414682 /nfs/dbraw/zinc/41/46/82/999414682.db2.gz CIIDTUKTRSRAAI-BGYRXZFFSA-N 2 2 372.538 2.711 20 30 FFEDLP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1 ZINC000826761402 999414686 /nfs/dbraw/zinc/41/46/86/999414686.db2.gz CIIDTUKTRSRAAI-BGYRXZFFSA-N 2 2 372.538 2.711 20 30 FFEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001096608042 1016347017 /nfs/dbraw/zinc/34/70/17/1016347017.db2.gz OFEHBARMLBDKCE-ANULTFPQSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001096608042 1016347026 /nfs/dbraw/zinc/34/70/26/1016347026.db2.gz OFEHBARMLBDKCE-ANULTFPQSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096608042 1016347034 /nfs/dbraw/zinc/34/70/34/1016347034.db2.gz OFEHBARMLBDKCE-ANULTFPQSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096608042 1016347045 /nfs/dbraw/zinc/34/70/45/1016347045.db2.gz OFEHBARMLBDKCE-ANULTFPQSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)c(F)c1 ZINC001109466168 1000513935 /nfs/dbraw/zinc/51/39/35/1000513935.db2.gz NQAKNNBVIMYFPW-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)c(F)c1 ZINC001109466168 1000513938 /nfs/dbraw/zinc/51/39/38/1000513938.db2.gz NQAKNNBVIMYFPW-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109466168 1000513939 /nfs/dbraw/zinc/51/39/39/1000513939.db2.gz NQAKNNBVIMYFPW-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001109466168 1000513944 /nfs/dbraw/zinc/51/39/44/1000513944.db2.gz NQAKNNBVIMYFPW-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP C#CCOc1ccccc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000772963206 1000560464 /nfs/dbraw/zinc/56/04/64/1000560464.db2.gz CIGNFYFXDMFZET-IBGZPJMESA-N 2 2 350.466 2.846 20 30 FFEDLP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359798 1001354923 /nfs/dbraw/zinc/35/49/23/1001354923.db2.gz VTDLOJGWOQEOJR-IAOVAPTHSA-N 2 2 371.510 2.911 20 30 FFEDLP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359798 1001354929 /nfs/dbraw/zinc/35/49/29/1001354929.db2.gz VTDLOJGWOQEOJR-IAOVAPTHSA-N 2 2 371.510 2.911 20 30 FFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001112562261 1001481196 /nfs/dbraw/zinc/48/11/96/1001481196.db2.gz ONVQJEHAQFFLNB-UWJYYQICSA-N 2 2 365.481 2.675 20 30 FFEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790372209 1002362232 /nfs/dbraw/zinc/36/22/32/1002362232.db2.gz ZAQFRMPIXIUXJD-OAQYLSRUSA-N 2 2 368.481 2.644 20 30 FFEDLP CCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790372209 1002362243 /nfs/dbraw/zinc/36/22/43/1002362243.db2.gz ZAQFRMPIXIUXJD-OAQYLSRUSA-N 2 2 368.481 2.644 20 30 FFEDLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183832730 1002403618 /nfs/dbraw/zinc/40/36/18/1002403618.db2.gz WTYDOXUBHUGYNU-NRFANRHFSA-N 2 2 368.525 2.713 20 30 FFEDLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183832730 1002403622 /nfs/dbraw/zinc/40/36/22/1002403622.db2.gz WTYDOXUBHUGYNU-NRFANRHFSA-N 2 2 368.525 2.713 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@]2(C)C1 ZINC001092195139 1002487494 /nfs/dbraw/zinc/48/74/94/1002487494.db2.gz FNARCQVRPGKXNS-UTKZUKDTSA-N 2 2 365.481 2.627 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@]2(C)C1 ZINC001092195139 1002487498 /nfs/dbraw/zinc/48/74/98/1002487498.db2.gz FNARCQVRPGKXNS-UTKZUKDTSA-N 2 2 365.481 2.627 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198741333 1004718663 /nfs/dbraw/zinc/71/86/63/1004718663.db2.gz KLROBQZGUGRSAG-INMHGKMJSA-N 2 2 365.905 2.535 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198741333 1004718664 /nfs/dbraw/zinc/71/86/64/1004718664.db2.gz KLROBQZGUGRSAG-INMHGKMJSA-N 2 2 365.905 2.535 20 30 FFEDLP CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000121533118 1004956400 /nfs/dbraw/zinc/95/64/00/1004956400.db2.gz WFPUKPAKUSIBNI-HNNXBMFYSA-N 2 2 370.409 2.671 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)CC[N@@H+]1C ZINC001097106382 1017043020 /nfs/dbraw/zinc/04/30/20/1017043020.db2.gz SUHZJSVMBLUZET-XNTOXWQXSA-N 2 2 366.509 2.510 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)CC[N@H+]1C ZINC001097106382 1017043043 /nfs/dbraw/zinc/04/30/43/1017043043.db2.gz SUHZJSVMBLUZET-XNTOXWQXSA-N 2 2 366.509 2.510 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC[NH+]1C ZINC001097106382 1017043056 /nfs/dbraw/zinc/04/30/56/1017043056.db2.gz SUHZJSVMBLUZET-XNTOXWQXSA-N 2 2 366.509 2.510 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC[NH+]1C ZINC001097106382 1017043071 /nfs/dbraw/zinc/04/30/71/1017043071.db2.gz SUHZJSVMBLUZET-XNTOXWQXSA-N 2 2 366.509 2.510 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000886239303 1008608833 /nfs/dbraw/zinc/60/88/33/1008608833.db2.gz TZRPMZRVCUQYJQ-QFIPXVFZSA-N 2 2 367.468 2.855 20 30 FFEDLP CC[NH+]1CCC([N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172985446 1012154740 /nfs/dbraw/zinc/15/47/40/1012154740.db2.gz QCKVQIFLXVNPET-IRXDYDNUSA-N 2 2 350.507 2.694 20 30 FFEDLP CC[NH+]1CCC([N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172985446 1012154742 /nfs/dbraw/zinc/15/47/42/1012154742.db2.gz QCKVQIFLXVNPET-IRXDYDNUSA-N 2 2 350.507 2.694 20 30 FFEDLP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[NH+]1CCCC1 ZINC000924562195 1017356866 /nfs/dbraw/zinc/35/68/66/1017356866.db2.gz RXCALVOKQNKZLU-QGZVFWFLSA-N 2 2 364.534 2.991 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365625770 1019935929 /nfs/dbraw/zinc/93/59/29/1019935929.db2.gz HZMODQFBOXTXSP-UISNHOIMSA-N 2 2 371.529 2.919 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365625770 1019935933 /nfs/dbraw/zinc/93/59/33/1019935933.db2.gz HZMODQFBOXTXSP-UISNHOIMSA-N 2 2 371.529 2.919 20 30 FFEDLP COC(=O)c1c(F)cccc1N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800818291 1020568426 /nfs/dbraw/zinc/56/84/26/1020568426.db2.gz QTYRYLRECWNUCV-UHFFFAOYSA-N 2 2 370.428 2.810 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001039172147 1022734943 /nfs/dbraw/zinc/73/49/43/1022734943.db2.gz MXUROSYEOSDPFN-IPMKNSEASA-N 2 2 356.514 2.660 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001039172147 1022734962 /nfs/dbraw/zinc/73/49/62/1022734962.db2.gz MXUROSYEOSDPFN-IPMKNSEASA-N 2 2 356.514 2.660 20 30 FFEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001157967606 1029695517 /nfs/dbraw/zinc/69/55/17/1029695517.db2.gz OOUPROZVCYTETF-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001157967606 1029695518 /nfs/dbraw/zinc/69/55/18/1029695518.db2.gz OOUPROZVCYTETF-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001205659495 1031912489 /nfs/dbraw/zinc/91/24/89/1031912489.db2.gz JFJZFJASFRCZJV-PKOBYXMFSA-N 2 2 356.445 2.642 20 30 FFEDLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)[NH+](CC)CC ZINC001221811698 1035087228 /nfs/dbraw/zinc/08/72/28/1035087228.db2.gz FXQVKEHGVVRAQV-QHAWAJNXSA-N 2 2 368.525 2.711 20 30 FFEDLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)[NH+](CC)CC ZINC001221811698 1035087236 /nfs/dbraw/zinc/08/72/36/1035087236.db2.gz FXQVKEHGVVRAQV-QHAWAJNXSA-N 2 2 368.525 2.711 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528072 1035148316 /nfs/dbraw/zinc/14/83/16/1035148316.db2.gz MGQQPAHKBFXLHB-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528072 1035148322 /nfs/dbraw/zinc/14/83/22/1035148322.db2.gz MGQQPAHKBFXLHB-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528072 1035148328 /nfs/dbraw/zinc/14/83/28/1035148328.db2.gz MGQQPAHKBFXLHB-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528072 1035148334 /nfs/dbraw/zinc/14/83/34/1035148334.db2.gz MGQQPAHKBFXLHB-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001228854525 1036364923 /nfs/dbraw/zinc/36/49/23/1036364923.db2.gz ZYQWQLPKKUQMFV-NSISKUIASA-N 2 2 365.481 2.923 20 30 FFEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001229038449 1036469651 /nfs/dbraw/zinc/46/96/51/1036469651.db2.gz VJYFTMMTELEXMV-FSPWUOQZSA-N 2 2 371.510 2.739 20 30 FFEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001229038449 1036469653 /nfs/dbraw/zinc/46/96/53/1036469653.db2.gz VJYFTMMTELEXMV-FSPWUOQZSA-N 2 2 371.510 2.739 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001229472144 1036691941 /nfs/dbraw/zinc/69/19/41/1036691941.db2.gz LZIFSUUHMNWTDT-QZTJIDSGSA-N 2 2 353.470 2.864 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/c2ccccc2)C[C@H]1C ZINC001207583295 1037576517 /nfs/dbraw/zinc/57/65/17/1037576517.db2.gz OYGNRJQNVVPTEZ-FEVLQLCVSA-N 2 2 365.521 2.624 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C/c2ccccc2)C[C@H]1C ZINC001207583295 1037576534 /nfs/dbraw/zinc/57/65/34/1037576534.db2.gz OYGNRJQNVVPTEZ-FEVLQLCVSA-N 2 2 365.521 2.624 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/c2ccccc2)C[C@H]1C ZINC001207583295 1037576549 /nfs/dbraw/zinc/57/65/49/1037576549.db2.gz OYGNRJQNVVPTEZ-FEVLQLCVSA-N 2 2 365.521 2.624 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/c2ccccc2)C[C@H]1C ZINC001207583295 1037576561 /nfs/dbraw/zinc/57/65/61/1037576561.db2.gz OYGNRJQNVVPTEZ-FEVLQLCVSA-N 2 2 365.521 2.624 20 30 FFEDLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](CC)CC ZINC001208575662 1038421511 /nfs/dbraw/zinc/42/15/11/1038421511.db2.gz SKGXIBGOIUWICP-AHRSYUTCSA-N 2 2 356.514 2.615 20 30 FFEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](CC)CC ZINC001208575662 1038421517 /nfs/dbraw/zinc/42/15/17/1038421517.db2.gz SKGXIBGOIUWICP-AHRSYUTCSA-N 2 2 356.514 2.615 20 30 FFEDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](CCc1ccc(C#N)cc1)CC2 ZINC001208925959 1038591701 /nfs/dbraw/zinc/59/17/01/1038591701.db2.gz ZWDCBXMKEWSGMI-UHFFFAOYSA-N 2 2 351.498 2.998 20 30 FFEDLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](CCc1ccc(C#N)cc1)CC2 ZINC001208925959 1038591703 /nfs/dbraw/zinc/59/17/03/1038591703.db2.gz ZWDCBXMKEWSGMI-UHFFFAOYSA-N 2 2 351.498 2.998 20 30 FFEDLP CCOC(=O)C1(C#N)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952155 1038604344 /nfs/dbraw/zinc/60/43/44/1038604344.db2.gz DALWGSNOBPZYSL-LJQANCHMSA-N 2 2 355.482 2.677 20 30 FFEDLP CCOC(=O)C1(C#N)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952155 1038604346 /nfs/dbraw/zinc/60/43/46/1038604346.db2.gz DALWGSNOBPZYSL-LJQANCHMSA-N 2 2 355.482 2.677 20 30 FFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246399866 1039337530 /nfs/dbraw/zinc/33/75/30/1039337530.db2.gz BEUQMFVPKZYYTF-UTKZUKDTSA-N 2 2 365.477 2.930 20 30 FFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246400419 1039339047 /nfs/dbraw/zinc/33/90/47/1039339047.db2.gz GFMHOXIWGBJVCT-UWJYYQICSA-N 2 2 365.477 2.930 20 30 FFEDLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3cc(C#N)ccc3F)CC2)C1 ZINC001278681226 1039691009 /nfs/dbraw/zinc/69/10/09/1039691009.db2.gz VVUQSSXQGWPFSM-UHFFFAOYSA-N 2 2 358.505 2.937 20 30 FFEDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001279311991 1042995505 /nfs/dbraw/zinc/99/55/05/1042995505.db2.gz GVVCIYIMNYFYBM-FQEVSTJZSA-N 2 2 362.468 2.686 20 30 FFEDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001279311991 1042995506 /nfs/dbraw/zinc/99/55/06/1042995506.db2.gz GVVCIYIMNYFYBM-FQEVSTJZSA-N 2 2 362.468 2.686 20 30 FFEDLP C=CC[NH2+]CCN1CC[NH+]([C@H](C)c2ccc(Br)cc2)CC1 ZINC001237466461 1043182379 /nfs/dbraw/zinc/18/23/79/1043182379.db2.gz WCPPZKVBDRHQJZ-OAHLLOKOSA-N 2 2 352.320 2.903 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001316720362 1044833067 /nfs/dbraw/zinc/83/30/67/1044833067.db2.gz ANGGBGBWSBJHIK-WOJBJXKFSA-N 2 2 352.482 2.513 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001316720362 1044833088 /nfs/dbraw/zinc/83/30/88/1044833088.db2.gz ANGGBGBWSBJHIK-WOJBJXKFSA-N 2 2 352.482 2.513 20 30 FFEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1CC ZINC001325365150 1046484733 /nfs/dbraw/zinc/48/47/33/1046484733.db2.gz HCIIODZIJGAFBE-AQNXPRMDSA-N 2 2 364.493 2.556 20 30 FFEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308033603 1052388671 /nfs/dbraw/zinc/38/86/71/1052388671.db2.gz NGDQADARKXQCDD-UXHICEINSA-N 2 2 362.433 2.526 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001339528080 1056549274 /nfs/dbraw/zinc/54/92/74/1056549274.db2.gz BREFYLMPKYOORS-MSOLQXFVSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001339528080 1056549286 /nfs/dbraw/zinc/54/92/86/1056549286.db2.gz BREFYLMPKYOORS-MSOLQXFVSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001339569069 1056593380 /nfs/dbraw/zinc/59/33/80/1056593380.db2.gz ZHCLNISMBBAXTM-SFHVURJKSA-N 2 2 360.550 2.618 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001339569069 1056593391 /nfs/dbraw/zinc/59/33/91/1056593391.db2.gz ZHCLNISMBBAXTM-SFHVURJKSA-N 2 2 360.550 2.618 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001515032637 1059241652 /nfs/dbraw/zinc/24/16/52/1059241652.db2.gz XFQBJBDODQRVSS-FHWLQOOXSA-N 2 2 372.561 2.617 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001479669685 1062771865 /nfs/dbraw/zinc/77/18/65/1062771865.db2.gz MAXFWRKCGPQFAM-AQNXPRMDSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001479669685 1062771882 /nfs/dbraw/zinc/77/18/82/1062771882.db2.gz MAXFWRKCGPQFAM-AQNXPRMDSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CC[N@@H+](C)CCN(CC)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001467728000 1063832891 /nfs/dbraw/zinc/83/28/91/1063832891.db2.gz ZNTCEATWGAGVOC-UHFFFAOYSA-N 2 2 364.559 2.630 20 30 FFEDLP CC(C)[NH+](CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000043064934 506693072 /nfs/dbraw/zinc/69/30/72/506693072.db2.gz SJTRVBNGXWSZSI-UHFFFAOYSA-N 2 2 371.529 2.504 20 30 FFEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000072860450 507866033 /nfs/dbraw/zinc/86/60/33/507866033.db2.gz FMZHSJKXYUJGMA-IRXDYDNUSA-N 2 2 360.477 2.734 20 30 FFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000072860450 507866035 /nfs/dbraw/zinc/86/60/35/507866035.db2.gz FMZHSJKXYUJGMA-IRXDYDNUSA-N 2 2 360.477 2.734 20 30 FFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000072860450 507866037 /nfs/dbraw/zinc/86/60/37/507866037.db2.gz FMZHSJKXYUJGMA-IRXDYDNUSA-N 2 2 360.477 2.734 20 30 FFEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000072860450 507866039 /nfs/dbraw/zinc/86/60/39/507866039.db2.gz FMZHSJKXYUJGMA-IRXDYDNUSA-N 2 2 360.477 2.734 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000090004364 507900131 /nfs/dbraw/zinc/90/01/31/507900131.db2.gz KDGYVRMQAMQKQK-CQSZACIVSA-N 2 2 357.483 2.637 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000090004364 507900135 /nfs/dbraw/zinc/90/01/35/507900135.db2.gz KDGYVRMQAMQKQK-CQSZACIVSA-N 2 2 357.483 2.637 20 30 FFEDLP C=CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1F ZINC000092404604 508068821 /nfs/dbraw/zinc/06/88/21/508068821.db2.gz LEQNSDSVKXLRKL-UHFFFAOYSA-N 2 2 355.461 2.556 20 30 FFEDLP C=CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1F ZINC000092404604 508068823 /nfs/dbraw/zinc/06/88/23/508068823.db2.gz LEQNSDSVKXLRKL-UHFFFAOYSA-N 2 2 355.461 2.556 20 30 FFEDLP C=CCc1cc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc(OC)c1O ZINC000093079004 508119299 /nfs/dbraw/zinc/11/92/99/508119299.db2.gz NDQOOTSXOPQLBA-UHFFFAOYSA-N 2 2 369.465 2.855 20 30 FFEDLP COc1cccc([C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[NH+](C)C)c1 ZINC000083029961 508233718 /nfs/dbraw/zinc/23/37/18/508233718.db2.gz MTQUCUQHGQUAIS-RBUKOAKNSA-N 2 2 368.481 2.726 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C(C)C ZINC000103306373 508305746 /nfs/dbraw/zinc/30/57/46/508305746.db2.gz AFZQSDAEGVFWAI-LJQANCHMSA-N 2 2 359.518 2.928 20 30 FFEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000114455799 508315707 /nfs/dbraw/zinc/31/57/07/508315707.db2.gz ZGTFHZGAJSTTNL-UHFFFAOYSA-N 2 2 374.485 2.572 20 30 FFEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000114455799 508315710 /nfs/dbraw/zinc/31/57/10/508315710.db2.gz ZGTFHZGAJSTTNL-UHFFFAOYSA-N 2 2 374.485 2.572 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139813875 508794767 /nfs/dbraw/zinc/79/47/67/508794767.db2.gz WFIOBNFGHQBOCU-LWLVAEKPSA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139813875 508794769 /nfs/dbraw/zinc/79/47/69/508794769.db2.gz WFIOBNFGHQBOCU-LWLVAEKPSA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139813875 508794772 /nfs/dbraw/zinc/79/47/72/508794772.db2.gz WFIOBNFGHQBOCU-LWLVAEKPSA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139813875 508794774 /nfs/dbraw/zinc/79/47/74/508794774.db2.gz WFIOBNFGHQBOCU-LWLVAEKPSA-N 2 2 360.546 2.722 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131750995 508966619 /nfs/dbraw/zinc/96/66/19/508966619.db2.gz VNPXNVZMLOYKBU-ICSRJNTNSA-N 2 2 354.450 2.703 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131750995 508966623 /nfs/dbraw/zinc/96/66/23/508966623.db2.gz VNPXNVZMLOYKBU-ICSRJNTNSA-N 2 2 354.450 2.703 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)cc1OC ZINC000267257855 509413618 /nfs/dbraw/zinc/41/36/18/509413618.db2.gz CHNVZYXIZSMRTB-UHFFFAOYSA-N 2 2 360.433 2.702 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)cc1OC ZINC000267257855 509413627 /nfs/dbraw/zinc/41/36/27/509413627.db2.gz CHNVZYXIZSMRTB-UHFFFAOYSA-N 2 2 360.433 2.702 20 30 FFEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182812558 509437166 /nfs/dbraw/zinc/43/71/66/509437166.db2.gz PYNWKWVDOXHOLQ-AZUAARDMSA-N 2 2 354.498 2.860 20 30 FFEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182812558 509437173 /nfs/dbraw/zinc/43/71/73/509437173.db2.gz PYNWKWVDOXHOLQ-AZUAARDMSA-N 2 2 354.498 2.860 20 30 FFEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182812558 509437181 /nfs/dbraw/zinc/43/71/81/509437181.db2.gz PYNWKWVDOXHOLQ-AZUAARDMSA-N 2 2 354.498 2.860 20 30 FFEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182812558 509437185 /nfs/dbraw/zinc/43/71/85/509437185.db2.gz PYNWKWVDOXHOLQ-AZUAARDMSA-N 2 2 354.498 2.860 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173794062 509782753 /nfs/dbraw/zinc/78/27/53/509782753.db2.gz LVUKBAHBWVLTSU-RBUKOAKNSA-N 2 2 356.514 2.985 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173794062 509782763 /nfs/dbraw/zinc/78/27/63/509782763.db2.gz LVUKBAHBWVLTSU-RBUKOAKNSA-N 2 2 356.514 2.985 20 30 FFEDLP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000245513433 509978673 /nfs/dbraw/zinc/97/86/73/509978673.db2.gz AJUJZSJAIWRJSZ-PZJWPPBQSA-N 2 2 366.509 2.861 20 30 FFEDLP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000245513433 509978676 /nfs/dbraw/zinc/97/86/76/509978676.db2.gz AJUJZSJAIWRJSZ-PZJWPPBQSA-N 2 2 366.509 2.861 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000269411333 510392884 /nfs/dbraw/zinc/39/28/84/510392884.db2.gz JHFNPGQNDIBNCS-FPOVZHCZSA-N 2 2 353.441 2.670 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000269411333 510392885 /nfs/dbraw/zinc/39/28/85/510392885.db2.gz JHFNPGQNDIBNCS-FPOVZHCZSA-N 2 2 353.441 2.670 20 30 FFEDLP CN(CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000181505534 510443256 /nfs/dbraw/zinc/44/32/56/510443256.db2.gz NMVITURBTKOQLF-UHFFFAOYSA-N 2 2 368.447 2.996 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000178715414 510736259 /nfs/dbraw/zinc/73/62/59/510736259.db2.gz CFNCNQDHHCSVSD-LSDHHAIUSA-N 2 2 367.497 2.519 20 30 FFEDLP C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)C2)C1 ZINC000330240160 510944285 /nfs/dbraw/zinc/94/42/85/510944285.db2.gz VVUJURQYWAAJKU-GOSISDBHSA-N 2 2 363.531 2.702 20 30 FFEDLP C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)C2)C1 ZINC000330240160 510944288 /nfs/dbraw/zinc/94/42/88/510944288.db2.gz VVUJURQYWAAJKU-GOSISDBHSA-N 2 2 363.531 2.702 20 30 FFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccc(C(F)(F)F)cn2)cc1 ZINC000277743818 510970647 /nfs/dbraw/zinc/97/06/47/510970647.db2.gz YQRMLZYTDCWWDU-UHFFFAOYSA-N 2 2 352.360 2.999 20 30 FFEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@]12CCCO2 ZINC000274192758 511748908 /nfs/dbraw/zinc/74/89/08/511748908.db2.gz KHJWEGVKNOHNAT-BHDDXSALSA-N 2 2 369.509 2.839 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cnc4c(c3)CCCC4)CC2)CC1 ZINC000328612889 511893250 /nfs/dbraw/zinc/89/32/50/511893250.db2.gz PWMQMGXYJUDKSU-UHFFFAOYSA-N 2 2 371.529 2.845 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328801409 511933579 /nfs/dbraw/zinc/93/35/79/511933579.db2.gz ZHEDCEUKVRFICD-WNKNEZEQSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328801409 511933587 /nfs/dbraw/zinc/93/35/87/511933587.db2.gz ZHEDCEUKVRFICD-WNKNEZEQSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328801409 511933590 /nfs/dbraw/zinc/93/35/90/511933590.db2.gz ZHEDCEUKVRFICD-WNKNEZEQSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328801409 511933596 /nfs/dbraw/zinc/93/35/96/511933596.db2.gz ZHEDCEUKVRFICD-WNKNEZEQSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328801410 511933617 /nfs/dbraw/zinc/93/36/17/511933617.db2.gz ZHEDCEUKVRFICD-YWDUDDICSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328801410 511933623 /nfs/dbraw/zinc/93/36/23/511933623.db2.gz ZHEDCEUKVRFICD-YWDUDDICSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000328801410 511933628 /nfs/dbraw/zinc/93/36/28/511933628.db2.gz ZHEDCEUKVRFICD-YWDUDDICSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328801410 511933635 /nfs/dbraw/zinc/93/36/35/511933635.db2.gz ZHEDCEUKVRFICD-YWDUDDICSA-N 2 2 360.546 2.723 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000281736033 511948492 /nfs/dbraw/zinc/94/84/92/511948492.db2.gz BALYSQUVAHDBHT-QGZVFWFLSA-N 2 2 371.529 2.759 20 30 FFEDLP Cc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000329221363 512007974 /nfs/dbraw/zinc/00/79/74/512007974.db2.gz URRZOPMHKCXFGL-IAGOWNOFSA-N 2 2 363.506 2.798 20 30 FFEDLP Cc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000329221363 512007978 /nfs/dbraw/zinc/00/79/78/512007978.db2.gz URRZOPMHKCXFGL-IAGOWNOFSA-N 2 2 363.506 2.798 20 30 FFEDLP CC1CC[NH+](C2CCC(NC([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)CC2)CC1 ZINC000329666014 512084828 /nfs/dbraw/zinc/08/48/28/512084828.db2.gz QDSVNBMCHZKAOQ-CGZBRXJRSA-N 2 2 359.518 2.814 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000329785945 512097433 /nfs/dbraw/zinc/09/74/33/512097433.db2.gz QIDCIMPCHPBBEV-UHFFFAOYSA-N 3 2 372.513 2.817 20 30 FFEDLP C[C@@H]1[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000380624378 512873197 /nfs/dbraw/zinc/87/31/97/512873197.db2.gz SLZAPEBFVKNVDO-JRGCBEDISA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000380624378 512873199 /nfs/dbraw/zinc/87/31/99/512873199.db2.gz SLZAPEBFVKNVDO-JRGCBEDISA-N 2 2 365.477 2.551 20 30 FFEDLP Cc1c(Cl)cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C#N ZINC000368617545 513028716 /nfs/dbraw/zinc/02/87/16/513028716.db2.gz ZRAPRKREJUESKQ-XYPWUTKMSA-N 2 2 359.905 2.662 20 30 FFEDLP Cc1c(Cl)cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C#N ZINC000368617545 513028719 /nfs/dbraw/zinc/02/87/19/513028719.db2.gz ZRAPRKREJUESKQ-XYPWUTKMSA-N 2 2 359.905 2.662 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC000421367746 513238245 /nfs/dbraw/zinc/23/82/45/513238245.db2.gz UEGQWPQRBTZEGX-FPOVZHCZSA-N 2 2 353.441 2.670 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC000421367746 513238253 /nfs/dbraw/zinc/23/82/53/513238253.db2.gz UEGQWPQRBTZEGX-FPOVZHCZSA-N 2 2 353.441 2.670 20 30 FFEDLP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000415899354 513467931 /nfs/dbraw/zinc/46/79/31/513467931.db2.gz JOXLXGHWTGFLIO-UHFFFAOYSA-N 2 2 363.465 2.627 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441079645 513476297 /nfs/dbraw/zinc/47/62/97/513476297.db2.gz LPXWLKMAYQWDCT-UHFFFAOYSA-N 2 2 356.514 2.557 20 30 FFEDLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000414522695 514160901 /nfs/dbraw/zinc/16/09/01/514160901.db2.gz DGSGDMPKVNTKIK-SJLPKXTDSA-N 2 2 356.495 2.641 20 30 FFEDLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000414522695 514160906 /nfs/dbraw/zinc/16/09/06/514160906.db2.gz DGSGDMPKVNTKIK-SJLPKXTDSA-N 2 2 356.495 2.641 20 30 FFEDLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424165094 514403570 /nfs/dbraw/zinc/40/35/70/514403570.db2.gz DIKZXYPZLNAWNL-MRXNPFEDSA-N 2 2 353.470 2.783 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)CC1 ZINC000420979818 514415230 /nfs/dbraw/zinc/41/52/30/514415230.db2.gz KRCJGCMHCQNCNH-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)CC1 ZINC000420979818 514415236 /nfs/dbraw/zinc/41/52/36/514415236.db2.gz KRCJGCMHCQNCNH-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000483216769 515990398 /nfs/dbraw/zinc/99/03/98/515990398.db2.gz BIZKQJCANCKOQZ-UHFFFAOYSA-N 2 2 374.391 2.885 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479067141 516044975 /nfs/dbraw/zinc/04/49/75/516044975.db2.gz LSQXOQOKNLOVKW-MRXNPFEDSA-N 2 2 365.543 2.642 20 30 FFEDLP CC(C)c1[nH+]c(CN(CCC#N)CC[NH+]2CCOCC2)c2ccccn21 ZINC000521918002 517899584 /nfs/dbraw/zinc/89/95/84/517899584.db2.gz PNBQCQKUPQDNSJ-UHFFFAOYSA-N 2 2 355.486 2.506 20 30 FFEDLP N#Cc1cnn2cc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cnc12 ZINC000570928614 518846621 /nfs/dbraw/zinc/84/66/21/518846621.db2.gz IHXQIXQOGDSENW-JOCHJYFZSA-N 2 2 372.476 2.699 20 30 FFEDLP N#Cc1cnn2cc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cnc12 ZINC000570928614 518846628 /nfs/dbraw/zinc/84/66/28/518846628.db2.gz IHXQIXQOGDSENW-JOCHJYFZSA-N 2 2 372.476 2.699 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cnc12 ZINC000570928614 518846634 /nfs/dbraw/zinc/84/66/34/518846634.db2.gz IHXQIXQOGDSENW-JOCHJYFZSA-N 2 2 372.476 2.699 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cnc12 ZINC000570928614 518846641 /nfs/dbraw/zinc/84/66/41/518846641.db2.gz IHXQIXQOGDSENW-JOCHJYFZSA-N 2 2 372.476 2.699 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000609495435 520333466 /nfs/dbraw/zinc/33/34/66/520333466.db2.gz IAHWTRLUXZVAST-UHFFFAOYSA-N 2 2 362.481 2.661 20 30 FFEDLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000600736791 520435812 /nfs/dbraw/zinc/43/58/12/520435812.db2.gz SSSKMUNWGNWUSF-RTWAWAEBSA-N 2 2 371.525 2.558 20 30 FFEDLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000600736791 520435818 /nfs/dbraw/zinc/43/58/18/520435818.db2.gz SSSKMUNWGNWUSF-RTWAWAEBSA-N 2 2 371.525 2.558 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000610027278 520512043 /nfs/dbraw/zinc/51/20/43/520512043.db2.gz ZTNSSSZUELNTEB-UHFFFAOYSA-N 2 2 360.421 2.556 20 30 FFEDLP C[C@](C#N)(NC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)C1CC1 ZINC000595552284 520548002 /nfs/dbraw/zinc/54/80/02/520548002.db2.gz SHJIKEKJNBLYLD-OAQYLSRUSA-N 2 2 365.481 2.626 20 30 FFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(C#N)cc3F)c2cc1C ZINC000610946926 520914627 /nfs/dbraw/zinc/91/46/27/520914627.db2.gz CECXLPLLPTYDMR-QGZVFWFLSA-N 2 2 352.413 2.815 20 30 FFEDLP N#Cc1c(F)cccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000602015186 521079463 /nfs/dbraw/zinc/07/94/63/521079463.db2.gz ZCVGUPNNPYNYAG-UHFFFAOYSA-N 2 2 353.441 2.944 20 30 FFEDLP Cc1cn2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2[nH+]1 ZINC000602045549 521100405 /nfs/dbraw/zinc/10/04/05/521100405.db2.gz CRZQDSZFCSXQKV-UHFFFAOYSA-N 2 2 373.460 2.863 20 30 FFEDLP Cc1cn2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2[nH+]1 ZINC000602045549 521100412 /nfs/dbraw/zinc/10/04/12/521100412.db2.gz CRZQDSZFCSXQKV-UHFFFAOYSA-N 2 2 373.460 2.863 20 30 FFEDLP CN(C)c1nc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000611438761 521158962 /nfs/dbraw/zinc/15/89/62/521158962.db2.gz LQPIITMVIXSRBH-UHFFFAOYSA-N 2 2 355.511 2.835 20 30 FFEDLP Cn1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C(F)F)n1 ZINC000593691835 521159990 /nfs/dbraw/zinc/15/99/90/521159990.db2.gz OQPHJAIBZFQUMJ-UHFFFAOYSA-N 2 2 359.424 2.984 20 30 FFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000602637849 521450872 /nfs/dbraw/zinc/45/08/72/521450872.db2.gz OPGYJTZPASWHFO-FPOVZHCZSA-N 2 2 371.525 2.966 20 30 FFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000602637849 521450883 /nfs/dbraw/zinc/45/08/83/521450883.db2.gz OPGYJTZPASWHFO-FPOVZHCZSA-N 2 2 371.525 2.966 20 30 FFEDLP N#Cc1ccc(N2CCC([NH2+]Cc3cc(-n4cc[nH+]c4)cs3)CC2)nc1 ZINC000612183069 521523170 /nfs/dbraw/zinc/52/31/70/521523170.db2.gz JRVNAVIPWCWBJX-UHFFFAOYSA-N 2 2 364.478 2.959 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(CC#N)c(C)[nH+]1)C2 ZINC001164817457 720175579 /nfs/dbraw/zinc/17/55/79/720175579.db2.gz PLXKAUPAYBZYKK-PZJWPPBQSA-N 2 2 354.498 2.641 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(CC#N)c(C)[nH+]1)C2 ZINC001164817457 720175583 /nfs/dbraw/zinc/17/55/83/720175583.db2.gz PLXKAUPAYBZYKK-PZJWPPBQSA-N 2 2 354.498 2.641 20 30 FFEDLP Cc1cc(Br)cn2cc(CCNC(=[NH2+])NC(C)(C)C)[nH+]c12 ZINC000262406000 729665443 /nfs/dbraw/zinc/66/54/43/729665443.db2.gz WFIDPBOINMRCPF-UHFFFAOYSA-N 2 2 352.280 2.651 20 30 FFEDLP C=C(Cl)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000963926594 740658356 /nfs/dbraw/zinc/65/83/56/740658356.db2.gz PHLQBAMASMQQMG-QDIHITRGSA-N 2 2 350.894 2.635 20 30 FFEDLP C=CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000807571851 741142182 /nfs/dbraw/zinc/14/21/82/741142182.db2.gz QWGGOQKUNMWBON-LJQANCHMSA-N 2 2 350.551 2.933 20 30 FFEDLP C=CCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000807571851 741142184 /nfs/dbraw/zinc/14/21/84/741142184.db2.gz QWGGOQKUNMWBON-LJQANCHMSA-N 2 2 350.551 2.933 20 30 FFEDLP N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nc1 ZINC000896651761 971652349 /nfs/dbraw/zinc/65/23/49/971652349.db2.gz XZVRQOZYNOYBDX-KRWDZBQOSA-N 2 2 359.437 2.610 20 30 FFEDLP N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nc1 ZINC000896651761 971652355 /nfs/dbraw/zinc/65/23/55/971652355.db2.gz XZVRQOZYNOYBDX-KRWDZBQOSA-N 2 2 359.437 2.610 20 30 FFEDLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328659925 960425237 /nfs/dbraw/zinc/42/52/37/960425237.db2.gz ULFIKOQIGUYSBZ-GOSISDBHSA-N 2 2 357.502 2.525 20 30 FFEDLP C=CC[C@@H]1N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1(C)C ZINC000683559611 961039413 /nfs/dbraw/zinc/03/94/13/961039413.db2.gz PHXWWJJMFRSSBI-MJGOQNOKSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[C@@H]1N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1(C)C ZINC000683559611 961039434 /nfs/dbraw/zinc/03/94/34/961039434.db2.gz PHXWWJJMFRSSBI-MJGOQNOKSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000656210046 962718083 /nfs/dbraw/zinc/71/80/83/962718083.db2.gz ASEJSHNJMVCUGO-IBGZPJMESA-N 2 2 362.562 2.933 20 30 FFEDLP C=CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000656210046 962718102 /nfs/dbraw/zinc/71/81/02/962718102.db2.gz ASEJSHNJMVCUGO-IBGZPJMESA-N 2 2 362.562 2.933 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001087469812 965304825 /nfs/dbraw/zinc/30/48/25/965304825.db2.gz YTNMNOVVRZWHPU-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001087469812 965304834 /nfs/dbraw/zinc/30/48/34/965304834.db2.gz YTNMNOVVRZWHPU-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001087469812 965304843 /nfs/dbraw/zinc/30/48/43/965304843.db2.gz YTNMNOVVRZWHPU-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001087469812 965304851 /nfs/dbraw/zinc/30/48/51/965304851.db2.gz YTNMNOVVRZWHPU-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)[C@@H]1CC ZINC001087606942 968341518 /nfs/dbraw/zinc/34/15/18/968341518.db2.gz AUBBLZAKEUZYEN-OTWHNJEPSA-N 2 2 359.539 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2csc(C)c2)[C@@H]1CC ZINC001087606942 968341530 /nfs/dbraw/zinc/34/15/30/968341530.db2.gz AUBBLZAKEUZYEN-OTWHNJEPSA-N 2 2 359.539 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1CC ZINC001087606942 968341539 /nfs/dbraw/zinc/34/15/39/968341539.db2.gz AUBBLZAKEUZYEN-OTWHNJEPSA-N 2 2 359.539 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2csc(C)c2)[C@@H]1CC ZINC001087606942 968341546 /nfs/dbraw/zinc/34/15/46/968341546.db2.gz AUBBLZAKEUZYEN-OTWHNJEPSA-N 2 2 359.539 2.623 20 30 FFEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001027415010 974386315 /nfs/dbraw/zinc/38/63/15/974386315.db2.gz BVQZSUWBFZZNIN-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001027415010 974386321 /nfs/dbraw/zinc/38/63/21/974386321.db2.gz BVQZSUWBFZZNIN-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000759977129 977388441 /nfs/dbraw/zinc/38/84/41/977388441.db2.gz OCBYTNIYYLHGHY-IRXDYDNUSA-N 2 2 363.465 2.640 20 30 FFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000759977129 977388447 /nfs/dbraw/zinc/38/84/47/977388447.db2.gz OCBYTNIYYLHGHY-IRXDYDNUSA-N 2 2 363.465 2.640 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087458324 977922117 /nfs/dbraw/zinc/92/21/17/977922117.db2.gz WNTQWKBFKAANLA-IOMROCGXSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001087458324 977922125 /nfs/dbraw/zinc/92/21/25/977922125.db2.gz WNTQWKBFKAANLA-IOMROCGXSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001087458324 977922133 /nfs/dbraw/zinc/92/21/33/977922133.db2.gz WNTQWKBFKAANLA-IOMROCGXSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001087458324 977922137 /nfs/dbraw/zinc/92/21/37/977922137.db2.gz WNTQWKBFKAANLA-IOMROCGXSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cn4cccc(C)c4[nH+]3)CCC[C@@H]12 ZINC001107575982 984736676 /nfs/dbraw/zinc/73/66/76/984736676.db2.gz LRIMPVQZZAIPKR-DENIHFKCSA-N 2 2 364.493 2.569 20 30 FFEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3cn4cccc(C)c4[nH+]3)CCC[C@@H]12 ZINC001107575982 984736680 /nfs/dbraw/zinc/73/66/80/984736680.db2.gz LRIMPVQZZAIPKR-DENIHFKCSA-N 2 2 364.493 2.569 20 30 FFEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089059462 986139883 /nfs/dbraw/zinc/13/98/83/986139883.db2.gz NDLSOAJAQGILST-QMMLZNLJSA-N 2 2 371.500 2.631 20 30 FFEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089059462 986139886 /nfs/dbraw/zinc/13/98/86/986139886.db2.gz NDLSOAJAQGILST-QMMLZNLJSA-N 2 2 371.500 2.631 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089059462 986139889 /nfs/dbraw/zinc/13/98/89/986139889.db2.gz NDLSOAJAQGILST-QMMLZNLJSA-N 2 2 371.500 2.631 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001089059462 986139893 /nfs/dbraw/zinc/13/98/93/986139893.db2.gz NDLSOAJAQGILST-QMMLZNLJSA-N 2 2 371.500 2.631 20 30 FFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333784 987976260 /nfs/dbraw/zinc/97/62/60/987976260.db2.gz RBMHTIMABPTMQV-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106830693 989374210 /nfs/dbraw/zinc/37/42/10/989374210.db2.gz VIQLNSDGBPKTMY-KZNAEPCWSA-N 2 2 367.497 2.920 20 30 FFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106830692 989374609 /nfs/dbraw/zinc/37/46/09/989374609.db2.gz VIQLNSDGBPKTMY-FGTMMUONSA-N 2 2 367.497 2.920 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1c1ccccc1 ZINC001081119870 993649296 /nfs/dbraw/zinc/64/92/96/993649296.db2.gz SGRBMQMVTWSZQY-VQTJNVASSA-N 2 2 364.493 2.532 20 30 FFEDLP NC(=[NH+]OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000809992954 994659263 /nfs/dbraw/zinc/65/92/63/994659263.db2.gz CCFFVNBUELVSKI-LJQANCHMSA-N 2 2 357.429 2.754 20 30 FFEDLP NC(=[NH+]OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000809992954 994659271 /nfs/dbraw/zinc/65/92/71/994659271.db2.gz CCFFVNBUELVSKI-LJQANCHMSA-N 2 2 357.429 2.754 20 30 FFEDLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cn1)CC2 ZINC001144157360 998070871 /nfs/dbraw/zinc/07/08/71/998070871.db2.gz FHWHEHHJBRMDOD-IBGZPJMESA-N 2 2 366.465 2.802 20 30 FFEDLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cn1)CC2 ZINC001144157360 998070878 /nfs/dbraw/zinc/07/08/78/998070878.db2.gz FHWHEHHJBRMDOD-IBGZPJMESA-N 2 2 366.465 2.802 20 30 FFEDLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000903823397 1016243883 /nfs/dbraw/zinc/24/38/83/1016243883.db2.gz GGZCIFLBKVRLJF-PZJWPPBQSA-N 2 2 351.450 2.683 20 30 FFEDLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000903823397 1016243891 /nfs/dbraw/zinc/24/38/91/1016243891.db2.gz GGZCIFLBKVRLJF-PZJWPPBQSA-N 2 2 351.450 2.683 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]21 ZINC001085067776 998829767 /nfs/dbraw/zinc/82/97/67/998829767.db2.gz QXUCDUNHSWKSAS-XLIONFOSSA-N 2 2 365.481 2.770 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]21 ZINC001085067776 998829773 /nfs/dbraw/zinc/82/97/73/998829773.db2.gz QXUCDUNHSWKSAS-XLIONFOSSA-N 2 2 365.481 2.770 20 30 FFEDLP C#Cc1cccc(NC(=S)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000741877867 999747203 /nfs/dbraw/zinc/74/72/03/999747203.db2.gz VQIDXFAQJMONBQ-UHFFFAOYSA-N 2 2 370.566 2.905 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000768675031 1000323791 /nfs/dbraw/zinc/32/37/91/1000323791.db2.gz VYLZRAMYCKHDMB-KBAYOESNSA-N 2 2 367.534 2.545 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086595894 1002604579 /nfs/dbraw/zinc/60/45/79/1002604579.db2.gz ZSRGLOXBGVWMQR-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086595894 1002604583 /nfs/dbraw/zinc/60/45/83/1002604583.db2.gz ZSRGLOXBGVWMQR-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(CC)c1 ZINC001095556363 1016753343 /nfs/dbraw/zinc/75/33/43/1016753343.db2.gz NMUVQXGMIBPZCA-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(CC)c1 ZINC001095556363 1016753349 /nfs/dbraw/zinc/75/33/49/1016753349.db2.gz NMUVQXGMIBPZCA-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(CC)c1 ZINC001095556363 1016753355 /nfs/dbraw/zinc/75/33/55/1016753355.db2.gz NMUVQXGMIBPZCA-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cccc(CC)c1 ZINC001095556363 1016753371 /nfs/dbraw/zinc/75/33/71/1016753371.db2.gz NMUVQXGMIBPZCA-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001097064283 1016965172 /nfs/dbraw/zinc/96/51/72/1016965172.db2.gz FSXPKSMWVYHWKP-YUMYIRISSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001097064283 1016965186 /nfs/dbraw/zinc/96/51/86/1016965186.db2.gz FSXPKSMWVYHWKP-YUMYIRISSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097064283 1016965195 /nfs/dbraw/zinc/96/51/95/1016965195.db2.gz FSXPKSMWVYHWKP-YUMYIRISSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097064283 1016965203 /nfs/dbraw/zinc/96/52/03/1016965203.db2.gz FSXPKSMWVYHWKP-YUMYIRISSA-N 2 2 365.521 2.632 20 30 FFEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001170840950 1007175176 /nfs/dbraw/zinc/17/51/76/1007175176.db2.gz FBJYBPIHCSLOPH-CEXWTWQISA-N 2 2 358.530 2.995 20 30 FFEDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000817941385 1007819232 /nfs/dbraw/zinc/81/92/32/1007819232.db2.gz JPKXRPADHJGMFL-QFIPXVFZSA-N 2 2 363.509 2.883 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)Cc3ccccc3F)CC2)cc1 ZINC000886234702 1008606916 /nfs/dbraw/zinc/60/69/16/1008606916.db2.gz UGAQVIFKPWWRCZ-NRFANRHFSA-N 2 2 367.468 2.855 20 30 FFEDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000887131300 1009042394 /nfs/dbraw/zinc/04/23/94/1009042394.db2.gz VFVDMPGIWJZMKN-GOSISDBHSA-N 2 2 363.465 2.539 20 30 FFEDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000887131300 1009042405 /nfs/dbraw/zinc/04/24/05/1009042405.db2.gz VFVDMPGIWJZMKN-GOSISDBHSA-N 2 2 363.465 2.539 20 30 FFEDLP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178743571 1009111990 /nfs/dbraw/zinc/11/19/90/1009111990.db2.gz GBCKHVCBXMBUKE-ZIAGYGMSSA-N 2 2 369.307 2.688 20 30 FFEDLP C=C(Br)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178743571 1009111996 /nfs/dbraw/zinc/11/19/96/1009111996.db2.gz GBCKHVCBXMBUKE-ZIAGYGMSSA-N 2 2 369.307 2.688 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C#N)c1O ZINC000866338019 1010979027 /nfs/dbraw/zinc/97/90/27/1010979027.db2.gz WIVOBIFAMIYKJG-BEFAXECRSA-N 2 2 351.450 2.681 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C#N)c1O ZINC000866338019 1010979030 /nfs/dbraw/zinc/97/90/30/1010979030.db2.gz WIVOBIFAMIYKJG-BEFAXECRSA-N 2 2 351.450 2.681 20 30 FFEDLP C=CCC[NH+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[N@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419758 1011103614 /nfs/dbraw/zinc/10/36/14/1011103614.db2.gz BKQWCRDXTHKRCG-SFHLNBCPSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCC[NH+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[N@@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419758 1011103616 /nfs/dbraw/zinc/10/36/16/1011103616.db2.gz BKQWCRDXTHKRCG-SFHLNBCPSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419758 1011103621 /nfs/dbraw/zinc/10/36/21/1011103621.db2.gz BKQWCRDXTHKRCG-SFHLNBCPSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419758 1011103628 /nfs/dbraw/zinc/10/36/28/1011103628.db2.gz BKQWCRDXTHKRCG-SFHLNBCPSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450394 1011138782 /nfs/dbraw/zinc/13/87/82/1011138782.db2.gz OMJTXUULLOBAGK-FBBABVLZSA-N 2 2 356.514 2.773 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450394 1011138783 /nfs/dbraw/zinc/13/87/83/1011138783.db2.gz OMJTXUULLOBAGK-FBBABVLZSA-N 2 2 356.514 2.773 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C[C@H]1C#N ZINC001172971455 1012140206 /nfs/dbraw/zinc/14/02/06/1012140206.db2.gz PRLFIEAMZMEWNN-SJORKVTESA-N 2 2 350.507 2.744 20 30 FFEDLP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222136685 1032782569 /nfs/dbraw/zinc/78/25/69/1032782569.db2.gz XPUIVXAMRWUIBA-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(C#N)c(Cl)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222136685 1032782587 /nfs/dbraw/zinc/78/25/87/1032782587.db2.gz XPUIVXAMRWUIBA-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365625766 1019936307 /nfs/dbraw/zinc/93/63/07/1019936307.db2.gz HZMODQFBOXTXSP-IOBOIYPZSA-N 2 2 371.529 2.919 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365625766 1019936309 /nfs/dbraw/zinc/93/63/09/1019936309.db2.gz HZMODQFBOXTXSP-IOBOIYPZSA-N 2 2 371.529 2.919 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001121581835 1023862462 /nfs/dbraw/zinc/86/24/62/1023862462.db2.gz RFZQPSQRLJLKGU-KRWDZBQOSA-N 2 2 372.542 2.615 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001121581835 1023862470 /nfs/dbraw/zinc/86/24/70/1023862470.db2.gz RFZQPSQRLJLKGU-KRWDZBQOSA-N 2 2 372.542 2.615 20 30 FFEDLP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218540599 1033210304 /nfs/dbraw/zinc/21/03/04/1033210304.db2.gz CXXDSDCFJPIFTE-VFVRVIDISA-N 2 2 356.426 2.586 20 30 FFEDLP CC[N@@H+]1CCCC[C@H]1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000246634546 1026304300 /nfs/dbraw/zinc/30/43/00/1026304300.db2.gz RRACCPVVWOJPTK-HNNXBMFYSA-N 2 2 367.497 2.521 20 30 FFEDLP CC[N@H+]1CCCC[C@H]1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000246634546 1026304312 /nfs/dbraw/zinc/30/43/12/1026304312.db2.gz RRACCPVVWOJPTK-HNNXBMFYSA-N 2 2 367.497 2.521 20 30 FFEDLP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001103271236 1027134248 /nfs/dbraw/zinc/13/42/48/1027134248.db2.gz FEHCNVBBEFFJEQ-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001103271236 1027134261 /nfs/dbraw/zinc/13/42/61/1027134261.db2.gz FEHCNVBBEFFJEQ-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001103271236 1027134275 /nfs/dbraw/zinc/13/42/75/1027134275.db2.gz FEHCNVBBEFFJEQ-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001103271236 1027134291 /nfs/dbraw/zinc/13/42/91/1027134291.db2.gz FEHCNVBBEFFJEQ-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C#CCCOc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1 ZINC000093079139 1027596493 /nfs/dbraw/zinc/59/64/93/1027596493.db2.gz TUMNVSXCAXKUEO-UHFFFAOYSA-N 2 2 351.450 2.815 20 30 FFEDLP CCN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)[C@H]1CCC[NH2+]C1 ZINC001161340676 1028137337 /nfs/dbraw/zinc/13/73/37/1028137337.db2.gz SEFDGBVVKFTDBF-VQTJNVASSA-N 2 2 354.498 2.513 20 30 FFEDLP CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)[C@H]1CCC[NH2+]C1 ZINC001161340676 1028137342 /nfs/dbraw/zinc/13/73/42/1028137342.db2.gz SEFDGBVVKFTDBF-VQTJNVASSA-N 2 2 354.498 2.513 20 30 FFEDLP N#Cc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc2ccc(Cl)cc12 ZINC001158269749 1029781639 /nfs/dbraw/zinc/78/16/39/1029781639.db2.gz RIHPMTREWCXNPO-OAHLLOKOSA-N 2 2 355.873 2.762 20 30 FFEDLP N#Cc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc2ccc(Cl)cc12 ZINC001158269749 1029781645 /nfs/dbraw/zinc/78/16/45/1029781645.db2.gz RIHPMTREWCXNPO-OAHLLOKOSA-N 2 2 355.873 2.762 20 30 FFEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001112418217 1030777337 /nfs/dbraw/zinc/77/73/37/1030777337.db2.gz OQFJJBDEJSUSAU-ZJOUEHCJSA-N 2 2 356.514 2.712 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001205300061 1031657289 /nfs/dbraw/zinc/65/72/89/1031657289.db2.gz HJGYCLLTAAWGJT-VQTJNVASSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001226964198 1034896321 /nfs/dbraw/zinc/89/63/21/1034896321.db2.gz CPPWSCFVBSDMNQ-QRVBRYPASA-N 2 2 362.518 2.690 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)s1 ZINC001232843718 1036103330 /nfs/dbraw/zinc/10/33/30/1036103330.db2.gz WAGPJTGUKYNRRU-UHFFFAOYSA-N 2 2 355.511 2.860 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)s1 ZINC001232843718 1036103337 /nfs/dbraw/zinc/10/33/37/1036103337.db2.gz WAGPJTGUKYNRRU-UHFFFAOYSA-N 2 2 355.511 2.860 20 30 FFEDLP N#Cc1ccc(C2CCC(n3c[nH+]cc3CCNC(=O)CC[NH3+])CC2)cc1 ZINC001257012930 1038679305 /nfs/dbraw/zinc/67/93/05/1038679305.db2.gz STQFVDZLNCYWBE-UHFFFAOYSA-N 2 2 365.481 2.661 20 30 FFEDLP N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246129124 1039251622 /nfs/dbraw/zinc/25/16/22/1039251622.db2.gz SNACFIIQSCXQJY-KBWCOIMZSA-N 3 2 370.516 2.993 20 30 FFEDLP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001246309573 1039306757 /nfs/dbraw/zinc/30/67/57/1039306757.db2.gz DVLRZAQBWMOWNA-IRXDYDNUSA-N 2 2 362.470 2.553 20 30 FFEDLP C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001253234888 1040059727 /nfs/dbraw/zinc/05/97/27/1040059727.db2.gz GNZWKGJHMIYGIH-LJQANCHMSA-N 2 2 365.562 2.550 20 30 FFEDLP C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001253234888 1040059739 /nfs/dbraw/zinc/05/97/39/1040059739.db2.gz GNZWKGJHMIYGIH-LJQANCHMSA-N 2 2 365.562 2.550 20 30 FFEDLP N#Cc1ccc2cc(C[N@H+]3CCc4[nH+]cc(Cn5cccn5)n4CC3)[nH]c2c1 ZINC001249428120 1040756580 /nfs/dbraw/zinc/75/65/80/1040756580.db2.gz CPWGYFYKCGBVSM-UHFFFAOYSA-N 2 2 371.448 2.539 20 30 FFEDLP N#Cc1ccc2cc(C[N@@H+]3CCc4[nH+]cc(Cn5cccn5)n4CC3)[nH]c2c1 ZINC001249428120 1040756590 /nfs/dbraw/zinc/75/65/90/1040756590.db2.gz CPWGYFYKCGBVSM-UHFFFAOYSA-N 2 2 371.448 2.539 20 30 FFEDLP C[N@@H+]1CCc2c(C#N)c(N=C3CCC([NH+]4CCOCC4)CC3)sc2C1 ZINC001249553237 1040861941 /nfs/dbraw/zinc/86/19/41/1040861941.db2.gz VYVGZSNPUNQFKS-OAHLLOKOSA-N 2 2 358.511 2.788 20 30 FFEDLP C[N@H+]1CCc2c(C#N)c(N=C3CCC([NH+]4CCOCC4)CC3)sc2C1 ZINC001249553237 1040861955 /nfs/dbraw/zinc/86/19/55/1040861955.db2.gz VYVGZSNPUNQFKS-OAHLLOKOSA-N 2 2 358.511 2.788 20 30 FFEDLP N#Cc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1F ZINC001249679674 1040936297 /nfs/dbraw/zinc/93/62/97/1040936297.db2.gz DDENJQSSJMJKRA-UHFFFAOYSA-N 2 2 353.445 2.548 20 30 FFEDLP N#Cc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1F ZINC001249679674 1040936311 /nfs/dbraw/zinc/93/63/11/1040936311.db2.gz DDENJQSSJMJKRA-UHFFFAOYSA-N 2 2 353.445 2.548 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCCCO2)C3)cc1C#N ZINC001279473796 1043155517 /nfs/dbraw/zinc/15/55/17/1043155517.db2.gz CFBYXMCTBROLLG-LEWJYISDSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCCCO2)C3)cc1C#N ZINC001279473796 1043155518 /nfs/dbraw/zinc/15/55/18/1043155518.db2.gz CFBYXMCTBROLLG-LEWJYISDSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@@H]2CCCCO2)C3)cc1C#N ZINC001279473796 1043155521 /nfs/dbraw/zinc/15/55/21/1043155521.db2.gz CFBYXMCTBROLLG-LEWJYISDSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C[C@@H]2CCCCO2)C3)cc1C#N ZINC001279473796 1043155523 /nfs/dbraw/zinc/15/55/23/1043155523.db2.gz CFBYXMCTBROLLG-LEWJYISDSA-N 2 2 356.514 2.754 20 30 FFEDLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001279568989 1043271126 /nfs/dbraw/zinc/27/11/26/1043271126.db2.gz XCIJXLXIOCPING-ALOPSCKCSA-N 2 2 355.511 2.947 20 30 FFEDLP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)n(C)c1 ZINC001279568989 1043271136 /nfs/dbraw/zinc/27/11/36/1043271136.db2.gz XCIJXLXIOCPING-ALOPSCKCSA-N 2 2 355.511 2.947 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)cc4Cl)C[C@H]3C2)cn1 ZINC001238082601 1043522899 /nfs/dbraw/zinc/52/28/99/1043522899.db2.gz KAWAPHMHPVLGMT-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)cc4Cl)C[C@H]3C2)cn1 ZINC001238082601 1043522904 /nfs/dbraw/zinc/52/29/04/1043522904.db2.gz KAWAPHMHPVLGMT-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C#N)cc4Cl)C[C@H]3C2)cn1 ZINC001238082601 1043522909 /nfs/dbraw/zinc/52/29/09/1043522909.db2.gz KAWAPHMHPVLGMT-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4Cl)C[C@H]3C2)cn1 ZINC001238082601 1043522914 /nfs/dbraw/zinc/52/29/14/1043522914.db2.gz KAWAPHMHPVLGMT-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001316795942 1045005869 /nfs/dbraw/zinc/00/58/69/1045005869.db2.gz CWQPRMDNJQOPTD-BEFAXECRSA-N 2 2 360.477 2.508 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001316795942 1045005880 /nfs/dbraw/zinc/00/58/80/1045005880.db2.gz CWQPRMDNJQOPTD-BEFAXECRSA-N 2 2 360.477 2.508 20 30 FFEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001316662304 1050171810 /nfs/dbraw/zinc/17/18/10/1050171810.db2.gz MDLUVSSFHCZYEL-ZYSHUDEJSA-N 2 2 365.481 2.535 20 30 FFEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001316662304 1050171814 /nfs/dbraw/zinc/17/18/14/1050171814.db2.gz MDLUVSSFHCZYEL-ZYSHUDEJSA-N 2 2 365.481 2.535 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001340390450 1050783962 /nfs/dbraw/zinc/78/39/62/1050783962.db2.gz PUDSERRJUFVMQF-RTBURBONSA-N 2 2 372.561 2.933 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001340390450 1050783974 /nfs/dbraw/zinc/78/39/74/1050783974.db2.gz PUDSERRJUFVMQF-RTBURBONSA-N 2 2 372.561 2.933 20 30 FFEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308033605 1052388780 /nfs/dbraw/zinc/38/87/80/1052388780.db2.gz NGDQADARKXQCDD-WOJBJXKFSA-N 2 2 362.433 2.526 20 30 FFEDLP COc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC001335338417 1053303965 /nfs/dbraw/zinc/30/39/65/1053303965.db2.gz SACKRYHOZBIFIN-QFIPXVFZSA-N 2 2 365.477 2.854 20 30 FFEDLP Cc1oc(NC(=O)C[NH+]2CCC([C@H]3[NH2+]CC34CCC4)CC2)c(C#N)c1C ZINC001579927339 1078716016 /nfs/dbraw/zinc/71/60/16/1078716016.db2.gz PEHGNRZLMGIYEI-GOSISDBHSA-N 2 2 356.470 2.561 20 30 FFEDLP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001569452280 1077146412 /nfs/dbraw/zinc/14/64/12/1077146412.db2.gz SVYHVHQIJLEEBO-RTBURBONSA-N 2 2 356.514 2.803 20 30 FFEDLP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001569452280 1077146415 /nfs/dbraw/zinc/14/64/15/1077146415.db2.gz SVYHVHQIJLEEBO-RTBURBONSA-N 2 2 356.514 2.803 20 30 FFEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081634036 508199450 /nfs/dbraw/zinc/19/94/50/508199450.db2.gz KOLQAJJSARJTJI-IBGZPJMESA-N 2 2 354.498 2.597 20 30 FFEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081634036 508199454 /nfs/dbraw/zinc/19/94/54/508199454.db2.gz KOLQAJJSARJTJI-IBGZPJMESA-N 2 2 354.498 2.597 20 30 FFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081634036 508199455 /nfs/dbraw/zinc/19/94/55/508199455.db2.gz KOLQAJJSARJTJI-IBGZPJMESA-N 2 2 354.498 2.597 20 30 FFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081634036 508199459 /nfs/dbraw/zinc/19/94/59/508199459.db2.gz KOLQAJJSARJTJI-IBGZPJMESA-N 2 2 354.498 2.597 20 30 FFEDLP C=CCOc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158064570 508652208 /nfs/dbraw/zinc/65/22/08/508652208.db2.gz GHUVKSWVHAETTN-UHFFFAOYSA-N 2 2 360.502 2.741 20 30 FFEDLP C=CCOc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158064570 508652211 /nfs/dbraw/zinc/65/22/11/508652211.db2.gz GHUVKSWVHAETTN-UHFFFAOYSA-N 2 2 360.502 2.741 20 30 FFEDLP N#Cc1ccc2ncc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)n2c1 ZINC000123258346 508659424 /nfs/dbraw/zinc/65/94/24/508659424.db2.gz JVZZVOUXKJAWEN-UHFFFAOYSA-N 2 2 356.433 2.783 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123293004 508665404 /nfs/dbraw/zinc/66/54/04/508665404.db2.gz CKGVQZOHCPBLCF-MJGOQNOKSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123293004 508665407 /nfs/dbraw/zinc/66/54/07/508665407.db2.gz CKGVQZOHCPBLCF-MJGOQNOKSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123293004 508665410 /nfs/dbraw/zinc/66/54/10/508665410.db2.gz CKGVQZOHCPBLCF-MJGOQNOKSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123293004 508665413 /nfs/dbraw/zinc/66/54/13/508665413.db2.gz CKGVQZOHCPBLCF-MJGOQNOKSA-N 2 2 372.513 2.746 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154014577 508698756 /nfs/dbraw/zinc/69/87/56/508698756.db2.gz RAQIUYJKDOHIGM-JTEYQQGYSA-N 2 2 370.497 2.854 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154014577 508698758 /nfs/dbraw/zinc/69/87/58/508698758.db2.gz RAQIUYJKDOHIGM-JTEYQQGYSA-N 2 2 370.497 2.854 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158548060 508719463 /nfs/dbraw/zinc/71/94/63/508719463.db2.gz AQVGKGNDLJOHLJ-MBOZVWFJSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158548060 508719467 /nfs/dbraw/zinc/71/94/67/508719467.db2.gz AQVGKGNDLJOHLJ-MBOZVWFJSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158548060 508719469 /nfs/dbraw/zinc/71/94/69/508719469.db2.gz AQVGKGNDLJOHLJ-MBOZVWFJSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158548060 508719473 /nfs/dbraw/zinc/71/94/73/508719473.db2.gz AQVGKGNDLJOHLJ-MBOZVWFJSA-N 2 2 372.488 2.877 20 30 FFEDLP CCc1nc(CCNC(=[NH+]C)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000160072539 508934254 /nfs/dbraw/zinc/93/42/54/508934254.db2.gz WBSQPIDRANNUNV-GDBMZVCRSA-N 2 2 360.531 2.603 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160497924 508995724 /nfs/dbraw/zinc/99/57/24/508995724.db2.gz WOERMPHAVIUVTJ-FQEVSTJZSA-N 2 2 371.529 2.699 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160497924 508995728 /nfs/dbraw/zinc/99/57/28/508995728.db2.gz WOERMPHAVIUVTJ-FQEVSTJZSA-N 2 2 371.529 2.699 20 30 FFEDLP COc1cc[nH+]c(N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000156117230 509129938 /nfs/dbraw/zinc/12/99/38/509129938.db2.gz ZSFZEFRJBLOFTJ-UHFFFAOYSA-N 2 2 352.438 2.553 20 30 FFEDLP N#Cc1ccc(N2CCC([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)nc1 ZINC000161716828 509147214 /nfs/dbraw/zinc/14/72/14/509147214.db2.gz CAPJKWKFNWNIST-UHFFFAOYSA-N 2 2 362.481 2.576 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248215249 509260785 /nfs/dbraw/zinc/26/07/85/509260785.db2.gz ZMYQGJSUIAHEAL-NRSPTQNISA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248215249 509260794 /nfs/dbraw/zinc/26/07/94/509260794.db2.gz ZMYQGJSUIAHEAL-NRSPTQNISA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248215249 509260798 /nfs/dbraw/zinc/26/07/98/509260798.db2.gz ZMYQGJSUIAHEAL-NRSPTQNISA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248215249 509260809 /nfs/dbraw/zinc/26/08/09/509260809.db2.gz ZMYQGJSUIAHEAL-NRSPTQNISA-N 2 2 368.525 2.733 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000264398790 509503903 /nfs/dbraw/zinc/50/39/03/509503903.db2.gz OLUMDSADGHAVOK-UHFFFAOYSA-N 2 2 373.423 2.627 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451795 509944544 /nfs/dbraw/zinc/94/45/44/509944544.db2.gz PVMJEWVLZLBJRO-LSNYBQGISA-N 2 2 362.562 2.969 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451795 509944546 /nfs/dbraw/zinc/94/45/46/509944546.db2.gz PVMJEWVLZLBJRO-LSNYBQGISA-N 2 2 362.562 2.969 20 30 FFEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245527587 509983762 /nfs/dbraw/zinc/98/37/62/509983762.db2.gz PYNWKWVDOXHOLQ-QUCCMNQESA-N 2 2 354.498 2.860 20 30 FFEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245527587 509983768 /nfs/dbraw/zinc/98/37/68/509983768.db2.gz PYNWKWVDOXHOLQ-QUCCMNQESA-N 2 2 354.498 2.860 20 30 FFEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245527587 509983774 /nfs/dbraw/zinc/98/37/74/509983774.db2.gz PYNWKWVDOXHOLQ-QUCCMNQESA-N 2 2 354.498 2.860 20 30 FFEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245527587 509983780 /nfs/dbraw/zinc/98/37/80/509983780.db2.gz PYNWKWVDOXHOLQ-QUCCMNQESA-N 2 2 354.498 2.860 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181069970 510267981 /nfs/dbraw/zinc/26/79/81/510267981.db2.gz YTKVUNBGNSXSLI-MRXNPFEDSA-N 2 2 357.433 2.679 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181069970 510267983 /nfs/dbraw/zinc/26/79/83/510267983.db2.gz YTKVUNBGNSXSLI-MRXNPFEDSA-N 2 2 357.433 2.679 20 30 FFEDLP CN(C(=O)NCCCCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246081314 510279513 /nfs/dbraw/zinc/27/95/13/510279513.db2.gz CAMYYKPAPSQCCC-RBUKOAKNSA-N 2 2 363.550 2.659 20 30 FFEDLP CN(C(=O)NCCCCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246081314 510279518 /nfs/dbraw/zinc/27/95/18/510279518.db2.gz CAMYYKPAPSQCCC-RBUKOAKNSA-N 2 2 363.550 2.659 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 ZINC000181590023 510489118 /nfs/dbraw/zinc/48/91/18/510489118.db2.gz GTANBFFKDTVUCP-NRFANRHFSA-N 2 2 374.488 2.918 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(=O)NC3CCCCC3)CC2)cc1 ZINC000181946544 510674987 /nfs/dbraw/zinc/67/49/87/510674987.db2.gz AJKIGCFASZZEGQ-UHFFFAOYSA-N 2 2 354.498 2.561 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]3(O)CCc4ccccc43)CC2)cc1 ZINC000182066303 510737665 /nfs/dbraw/zinc/73/76/65/510737665.db2.gz FESJMYBPCCFCKR-HSZRJFAPSA-N 2 2 361.489 2.946 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246993990 510788933 /nfs/dbraw/zinc/78/89/33/510788933.db2.gz WOFZSZLUJFDYFA-SYNHAJSKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246993990 510788939 /nfs/dbraw/zinc/78/89/39/510788939.db2.gz WOFZSZLUJFDYFA-SYNHAJSKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246993990 510788947 /nfs/dbraw/zinc/78/89/47/510788947.db2.gz WOFZSZLUJFDYFA-SYNHAJSKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246993990 510788954 /nfs/dbraw/zinc/78/89/54/510788954.db2.gz WOFZSZLUJFDYFA-SYNHAJSKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Cn2cc3ccccc3n2)([NH+]2CCCCC2)CC1 ZINC000330050947 510907746 /nfs/dbraw/zinc/90/77/46/510907746.db2.gz MQHQGNUUEMUWMX-UHFFFAOYSA-N 2 2 369.513 2.943 20 30 FFEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000330183760 510932712 /nfs/dbraw/zinc/93/27/12/510932712.db2.gz ICRRDJVWNFLVIB-OAHLLOKOSA-N 2 2 364.453 2.868 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330201413 510936254 /nfs/dbraw/zinc/93/62/54/510936254.db2.gz XSWGROUKCLHLLH-MJGOQNOKSA-N 2 2 367.497 2.708 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330201413 510936257 /nfs/dbraw/zinc/93/62/57/510936257.db2.gz XSWGROUKCLHLLH-MJGOQNOKSA-N 2 2 367.497 2.708 20 30 FFEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000330778461 511017367 /nfs/dbraw/zinc/01/73/67/511017367.db2.gz LHBXJQFGDDEHST-OKZBNKHCSA-N 2 2 366.550 2.648 20 30 FFEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000330778461 511017371 /nfs/dbraw/zinc/01/73/71/511017371.db2.gz LHBXJQFGDDEHST-OKZBNKHCSA-N 2 2 366.550 2.648 20 30 FFEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000330778461 511017376 /nfs/dbraw/zinc/01/73/76/511017376.db2.gz LHBXJQFGDDEHST-OKZBNKHCSA-N 2 2 366.550 2.648 20 30 FFEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000330778461 511017381 /nfs/dbraw/zinc/01/73/81/511017381.db2.gz LHBXJQFGDDEHST-OKZBNKHCSA-N 2 2 366.550 2.648 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364694969 511024447 /nfs/dbraw/zinc/02/44/47/511024447.db2.gz IPAORGZPKSQRAM-HOJAQTOUSA-N 2 2 358.530 2.819 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000364694969 511024451 /nfs/dbraw/zinc/02/44/51/511024451.db2.gz IPAORGZPKSQRAM-HOJAQTOUSA-N 2 2 358.530 2.819 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364694969 511024458 /nfs/dbraw/zinc/02/44/58/511024458.db2.gz IPAORGZPKSQRAM-HOJAQTOUSA-N 2 2 358.530 2.819 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364694969 511024463 /nfs/dbraw/zinc/02/44/63/511024463.db2.gz IPAORGZPKSQRAM-HOJAQTOUSA-N 2 2 358.530 2.819 20 30 FFEDLP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000295069411 511271795 /nfs/dbraw/zinc/27/17/95/511271795.db2.gz PBICJCZBGPSGDN-FQEVSTJZSA-N 2 2 356.514 2.615 20 30 FFEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C#N ZINC000281589499 511900928 /nfs/dbraw/zinc/90/09/28/511900928.db2.gz DWMJSSPIJGDJCD-RTWAWAEBSA-N 2 2 365.477 2.539 20 30 FFEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C#N ZINC000281589499 511900933 /nfs/dbraw/zinc/90/09/33/511900933.db2.gz DWMJSSPIJGDJCD-RTWAWAEBSA-N 2 2 365.477 2.539 20 30 FFEDLP N#Cc1ccc(N2CCC([NH2+]Cc3ccnc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000367636717 512594887 /nfs/dbraw/zinc/59/48/87/512594887.db2.gz MHMBUYKIVANVNZ-UHFFFAOYSA-N 2 2 358.449 2.898 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000398027099 512953715 /nfs/dbraw/zinc/95/37/15/512953715.db2.gz MCWKVDYFNZPPDJ-QMMLZNLJSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000398027099 512953720 /nfs/dbraw/zinc/95/37/20/512953720.db2.gz MCWKVDYFNZPPDJ-QMMLZNLJSA-N 2 2 365.477 2.551 20 30 FFEDLP COc1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)ccc1C#N ZINC000440819500 513414816 /nfs/dbraw/zinc/41/48/16/513414816.db2.gz MJKVSXOSAIKRJB-UHFFFAOYSA-N 2 2 364.493 2.869 20 30 FFEDLP C=C(C)C[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000470911234 514670032 /nfs/dbraw/zinc/67/00/32/514670032.db2.gz RESBWCLVZQGCRA-NRFANRHFSA-N 2 2 373.541 2.538 20 30 FFEDLP C=C(C)C[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000470911234 514670038 /nfs/dbraw/zinc/67/00/38/514670038.db2.gz RESBWCLVZQGCRA-NRFANRHFSA-N 2 2 373.541 2.538 20 30 FFEDLP C=C(C)C[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)Cc1ccccc1 ZINC000470911234 514670048 /nfs/dbraw/zinc/67/00/48/514670048.db2.gz RESBWCLVZQGCRA-NRFANRHFSA-N 2 2 373.541 2.538 20 30 FFEDLP C=C(C)C[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)Cc1ccccc1 ZINC000470911234 514670059 /nfs/dbraw/zinc/67/00/59/514670059.db2.gz RESBWCLVZQGCRA-NRFANRHFSA-N 2 2 373.541 2.538 20 30 FFEDLP C=C(C)CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000458999848 515260071 /nfs/dbraw/zinc/26/00/71/515260071.db2.gz LXVJTBOMEIANAB-RTBURBONSA-N 2 2 350.551 2.931 20 30 FFEDLP C=C(C)CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458999848 515260076 /nfs/dbraw/zinc/26/00/76/515260076.db2.gz LXVJTBOMEIANAB-RTBURBONSA-N 2 2 350.551 2.931 20 30 FFEDLP C=C(C)C[N@@H+](CC)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000537260480 517114990 /nfs/dbraw/zinc/11/49/90/517114990.db2.gz UTGPWAABANXUMS-UHFFFAOYSA-N 2 2 359.514 2.628 20 30 FFEDLP C=C(C)C[N@H+](CC)CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000537260480 517114997 /nfs/dbraw/zinc/11/49/97/517114997.db2.gz UTGPWAABANXUMS-UHFFFAOYSA-N 2 2 359.514 2.628 20 30 FFEDLP C=C(C)C[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000537260480 517115004 /nfs/dbraw/zinc/11/50/04/517115004.db2.gz UTGPWAABANXUMS-UHFFFAOYSA-N 2 2 359.514 2.628 20 30 FFEDLP C=C(C)C[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000537260480 517115015 /nfs/dbraw/zinc/11/50/15/517115015.db2.gz UTGPWAABANXUMS-UHFFFAOYSA-N 2 2 359.514 2.628 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000542133234 517399019 /nfs/dbraw/zinc/39/90/19/517399019.db2.gz QMRJGHOKGDTJOI-UHFFFAOYSA-N 2 2 351.454 2.886 20 30 FFEDLP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000563083121 517646155 /nfs/dbraw/zinc/64/61/55/517646155.db2.gz RGLSFBHVSDYMRN-MAUKXSAKSA-N 2 2 366.469 2.534 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000556836396 517692838 /nfs/dbraw/zinc/69/28/38/517692838.db2.gz LUWGOYYTRUCUPH-NQIIRXRSSA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000556836396 517692847 /nfs/dbraw/zinc/69/28/47/517692847.db2.gz LUWGOYYTRUCUPH-NQIIRXRSSA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000556836396 517692854 /nfs/dbraw/zinc/69/28/54/517692854.db2.gz LUWGOYYTRUCUPH-NQIIRXRSSA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556836396 517692860 /nfs/dbraw/zinc/69/28/60/517692860.db2.gz LUWGOYYTRUCUPH-NQIIRXRSSA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000575475008 518224897 /nfs/dbraw/zinc/22/48/97/518224897.db2.gz ONFVYWLJXMNDBU-KRWDZBQOSA-N 2 2 362.477 2.650 20 30 FFEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(CCC#N)CC2)CC1 ZINC000567045949 518326369 /nfs/dbraw/zinc/32/63/69/518326369.db2.gz LJSQMTVBSCTNTC-IBGZPJMESA-N 2 2 368.525 2.908 20 30 FFEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000579531511 518723877 /nfs/dbraw/zinc/72/38/77/518723877.db2.gz AQVHDFFPHPJBLR-UHFFFAOYSA-N 2 2 362.437 2.802 20 30 FFEDLP N#CCC[C@@H](C#N)C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000566005209 519242594 /nfs/dbraw/zinc/24/25/94/519242594.db2.gz WVLZSPMUEBDAPF-KRWDZBQOSA-N 2 2 359.905 2.885 20 30 FFEDLP N#CCC[C@H](C#N)C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000566005210 519242671 /nfs/dbraw/zinc/24/26/71/519242671.db2.gz WVLZSPMUEBDAPF-QGZVFWFLSA-N 2 2 359.905 2.885 20 30 FFEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cnc12 ZINC000566245749 519391292 /nfs/dbraw/zinc/39/12/92/519391292.db2.gz RMVQAVKDDHJRBW-KRWDZBQOSA-N 2 2 352.486 2.689 20 30 FFEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cnc12 ZINC000566245749 519391295 /nfs/dbraw/zinc/39/12/95/519391295.db2.gz RMVQAVKDDHJRBW-KRWDZBQOSA-N 2 2 352.486 2.689 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000566305423 519423671 /nfs/dbraw/zinc/42/36/71/519423671.db2.gz WNWZITRRONGSMX-QGZVFWFLSA-N 2 2 362.543 2.572 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000566305423 519423676 /nfs/dbraw/zinc/42/36/76/519423676.db2.gz WNWZITRRONGSMX-QGZVFWFLSA-N 2 2 362.543 2.572 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000566305423 519423679 /nfs/dbraw/zinc/42/36/79/519423679.db2.gz WNWZITRRONGSMX-QGZVFWFLSA-N 2 2 362.543 2.572 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000566305423 519423682 /nfs/dbraw/zinc/42/36/82/519423682.db2.gz WNWZITRRONGSMX-QGZVFWFLSA-N 2 2 362.543 2.572 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000578125710 519430338 /nfs/dbraw/zinc/43/03/38/519430338.db2.gz ONOYQOJBFDBQLS-NVXWUHKLSA-N 2 2 363.465 2.908 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000578125710 519430345 /nfs/dbraw/zinc/43/03/45/519430345.db2.gz ONOYQOJBFDBQLS-NVXWUHKLSA-N 2 2 363.465 2.908 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000584108519 519594648 /nfs/dbraw/zinc/59/46/48/519594648.db2.gz HOYPATCTHQQOBJ-MOPGFXCFSA-N 2 2 355.482 2.827 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)CC1 ZINC000603072204 520063460 /nfs/dbraw/zinc/06/34/60/520063460.db2.gz MVCMTQZZPWTLLD-UHFFFAOYSA-N 2 2 373.476 2.721 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)CC1 ZINC000603072204 520063468 /nfs/dbraw/zinc/06/34/68/520063468.db2.gz MVCMTQZZPWTLLD-UHFFFAOYSA-N 2 2 373.476 2.721 20 30 FFEDLP CCC(CC)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000600725764 520426991 /nfs/dbraw/zinc/42/69/91/520426991.db2.gz KBJUDLAINBSETN-RTBURBONSA-N 2 2 351.535 2.548 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209551 520490253 /nfs/dbraw/zinc/49/02/53/520490253.db2.gz QCYNBLCHBOUAEG-MRXNPFEDSA-N 2 2 362.543 2.614 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209551 520490260 /nfs/dbraw/zinc/49/02/60/520490260.db2.gz QCYNBLCHBOUAEG-MRXNPFEDSA-N 2 2 362.543 2.614 20 30 FFEDLP Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c(C#N)c(N[C@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000596090395 520905818 /nfs/dbraw/zinc/90/58/18/520905818.db2.gz CYQURTMCEVBWQC-HOTGVXAUSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000596090395 520905824 /nfs/dbraw/zinc/90/58/24/520905824.db2.gz CYQURTMCEVBWQC-HOTGVXAUSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000596090395 520905829 /nfs/dbraw/zinc/90/58/29/520905829.db2.gz CYQURTMCEVBWQC-HOTGVXAUSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000596090395 520905836 /nfs/dbraw/zinc/90/58/36/520905836.db2.gz CYQURTMCEVBWQC-HOTGVXAUSA-N 3 2 366.513 2.559 20 30 FFEDLP COC(=O)Cc1cc[nH+]c(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000596292132 521012678 /nfs/dbraw/zinc/01/26/78/521012678.db2.gz SUZDBEIQAVYNDK-UHFFFAOYSA-N 2 2 364.449 2.745 20 30 FFEDLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2CCC[C@@H]21 ZINC000593724252 521177017 /nfs/dbraw/zinc/17/70/17/521177017.db2.gz BMUXBGPAEMBBPP-FSSWDIPSSA-N 3 2 352.526 2.985 20 30 FFEDLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2CCC[C@@H]21 ZINC000593724252 521177025 /nfs/dbraw/zinc/17/70/25/521177025.db2.gz BMUXBGPAEMBBPP-FSSWDIPSSA-N 3 2 352.526 2.985 20 30 FFEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599372791 521182228 /nfs/dbraw/zinc/18/22/28/521182228.db2.gz MHOAVUXBMWFRIJ-SFTDATJTSA-N 2 2 373.541 2.804 20 30 FFEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599372791 521182233 /nfs/dbraw/zinc/18/22/33/521182233.db2.gz MHOAVUXBMWFRIJ-SFTDATJTSA-N 2 2 373.541 2.804 20 30 FFEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599372790 521182347 /nfs/dbraw/zinc/18/23/47/521182347.db2.gz MHOAVUXBMWFRIJ-RTWAWAEBSA-N 2 2 373.541 2.804 20 30 FFEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599372790 521182355 /nfs/dbraw/zinc/18/23/55/521182355.db2.gz MHOAVUXBMWFRIJ-RTWAWAEBSA-N 2 2 373.541 2.804 20 30 FFEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000170906305 728991807 /nfs/dbraw/zinc/99/18/07/728991807.db2.gz AEXCPVSTYDLLRN-CQSZACIVSA-N 2 2 358.511 2.608 20 30 FFEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000170906305 728991812 /nfs/dbraw/zinc/99/18/12/728991812.db2.gz AEXCPVSTYDLLRN-CQSZACIVSA-N 2 2 358.511 2.608 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000858126662 730417189 /nfs/dbraw/zinc/41/71/89/730417189.db2.gz FOETWMBUYDFRIT-HOTGVXAUSA-N 2 2 366.889 2.866 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1OC ZINC000858126662 730417190 /nfs/dbraw/zinc/41/71/90/730417190.db2.gz FOETWMBUYDFRIT-HOTGVXAUSA-N 2 2 366.889 2.866 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000876769500 732279290 /nfs/dbraw/zinc/27/92/90/732279290.db2.gz ZIDBCDHOAPYCFX-INIZCTEOSA-N 2 2 350.894 2.616 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039205526 742989664 /nfs/dbraw/zinc/98/96/64/742989664.db2.gz UEHCLXWTVCYDFW-GVDBMIGSSA-N 2 2 362.905 2.826 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039205526 742989676 /nfs/dbraw/zinc/98/96/76/742989676.db2.gz UEHCLXWTVCYDFW-GVDBMIGSSA-N 2 2 362.905 2.826 20 30 FFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001104366925 964293966 /nfs/dbraw/zinc/29/39/66/964293966.db2.gz ACFWJZCQJRHVGM-DAXOMENPSA-N 2 2 364.921 2.650 20 30 FFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001104366925 964293976 /nfs/dbraw/zinc/29/39/76/964293976.db2.gz ACFWJZCQJRHVGM-DAXOMENPSA-N 2 2 364.921 2.650 20 30 FFEDLP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261937800 964673120 /nfs/dbraw/zinc/67/31/20/964673120.db2.gz CWRMCQXWVJTKPS-IJXRJRJASA-N 2 2 351.498 2.973 20 30 FFEDLP CC(C)[NH+](CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])C(C)C ZINC000119261133 970492018 /nfs/dbraw/zinc/49/20/18/970492018.db2.gz FQBVSBJEIQRTAN-UHFFFAOYSA-N 2 2 369.513 2.765 20 30 FFEDLP C=CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@@H](C)COC ZINC000661240108 973971036 /nfs/dbraw/zinc/97/10/36/973971036.db2.gz LJLFUWRYRXCGAX-FQEVSTJZSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@@H](C)COC ZINC000661240108 973971047 /nfs/dbraw/zinc/97/10/47/973971047.db2.gz LJLFUWRYRXCGAX-FQEVSTJZSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@@H](C)COC ZINC000661240108 973971060 /nfs/dbraw/zinc/97/10/60/973971060.db2.gz LJLFUWRYRXCGAX-FQEVSTJZSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@@H](C)COC ZINC000661240108 973971069 /nfs/dbraw/zinc/97/10/69/973971069.db2.gz LJLFUWRYRXCGAX-FQEVSTJZSA-N 2 2 373.541 2.552 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985485356 974199584 /nfs/dbraw/zinc/19/95/84/974199584.db2.gz QRWVUUSZADVQNL-IAGOWNOFSA-N 2 2 369.494 2.569 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985485356 974199588 /nfs/dbraw/zinc/19/95/88/974199588.db2.gz QRWVUUSZADVQNL-IAGOWNOFSA-N 2 2 369.494 2.569 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)s1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000985485356 974199596 /nfs/dbraw/zinc/19/95/96/974199596.db2.gz QRWVUUSZADVQNL-IAGOWNOFSA-N 2 2 369.494 2.569 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001087431305 976032008 /nfs/dbraw/zinc/03/20/08/976032008.db2.gz JCCVBPRHUFYERY-HMXCVIKNSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001087431305 976032022 /nfs/dbraw/zinc/03/20/22/976032022.db2.gz JCCVBPRHUFYERY-HMXCVIKNSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211707197 977311786 /nfs/dbraw/zinc/31/17/86/977311786.db2.gz FYZHAFBAQZVILO-JRGCBEDISA-N 2 2 366.509 2.902 20 30 FFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000759977122 977388231 /nfs/dbraw/zinc/38/82/31/977388231.db2.gz OCBYTNIYYLHGHY-DLBZAZTESA-N 2 2 363.465 2.640 20 30 FFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000759977122 977388241 /nfs/dbraw/zinc/38/82/41/977388241.db2.gz OCBYTNIYYLHGHY-DLBZAZTESA-N 2 2 363.465 2.640 20 30 FFEDLP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000877295646 1014540286 /nfs/dbraw/zinc/54/02/86/1014540286.db2.gz TWTCSOGRZOIASG-RTBURBONSA-N 2 2 360.477 2.832 20 30 FFEDLP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160111258 979610925 /nfs/dbraw/zinc/61/09/25/979610925.db2.gz MWUDWXMVNRBWQR-LPHOPBHVSA-N 2 2 369.517 2.853 20 30 FFEDLP CN(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000134910298 981258047 /nfs/dbraw/zinc/25/80/47/981258047.db2.gz JYTUHCBLSJSLFL-MJGOQNOKSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000134910298 981258049 /nfs/dbraw/zinc/25/80/49/981258049.db2.gz JYTUHCBLSJSLFL-MJGOQNOKSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000134910298 981258053 /nfs/dbraw/zinc/25/80/53/981258053.db2.gz JYTUHCBLSJSLFL-MJGOQNOKSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000134910298 981258056 /nfs/dbraw/zinc/25/80/56/981258056.db2.gz JYTUHCBLSJSLFL-MJGOQNOKSA-N 2 2 358.530 2.620 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001212462959 987461439 /nfs/dbraw/zinc/46/14/39/987461439.db2.gz MNZKRYGVROVYHT-RTBURBONSA-N 2 2 356.470 2.738 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001212462959 987461442 /nfs/dbraw/zinc/46/14/42/987461442.db2.gz MNZKRYGVROVYHT-RTBURBONSA-N 2 2 356.470 2.738 20 30 FFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001106763487 988983498 /nfs/dbraw/zinc/98/34/98/988983498.db2.gz JQGBGCOGLBCXFS-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001112543748 991193330 /nfs/dbraw/zinc/19/33/30/991193330.db2.gz TWZWRDVSHRXCKF-XUWXXGDYSA-N 2 2 350.894 2.559 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001112543748 991193335 /nfs/dbraw/zinc/19/33/35/991193335.db2.gz TWZWRDVSHRXCKF-XUWXXGDYSA-N 2 2 350.894 2.559 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001079155619 991857999 /nfs/dbraw/zinc/85/79/99/991857999.db2.gz KBDLMHGHYKJAME-VQTJNVASSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751494 992138479 /nfs/dbraw/zinc/13/84/79/992138479.db2.gz QAWQEUIGJCWWQE-GUDVDZBRSA-N 2 2 370.541 2.947 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751494 992138483 /nfs/dbraw/zinc/13/84/83/992138483.db2.gz QAWQEUIGJCWWQE-GUDVDZBRSA-N 2 2 370.541 2.947 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080539676 993130585 /nfs/dbraw/zinc/13/05/85/993130585.db2.gz RDXZMCQTHLGEHE-VQIMIIECSA-N 2 2 365.481 2.515 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001080539676 993130590 /nfs/dbraw/zinc/13/05/90/993130590.db2.gz RDXZMCQTHLGEHE-VQIMIIECSA-N 2 2 365.481 2.515 20 30 FFEDLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082593404 995011767 /nfs/dbraw/zinc/01/17/67/995011767.db2.gz DMXDCBLQNINRKB-JLTOFOAXSA-N 2 2 359.433 2.685 20 30 FFEDLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371647 997817229 /nfs/dbraw/zinc/81/72/29/997817229.db2.gz PSPBAXNTFAQMMR-QFIPXVFZSA-N 2 2 365.477 2.556 20 30 FFEDLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371647 997817235 /nfs/dbraw/zinc/81/72/35/997817235.db2.gz PSPBAXNTFAQMMR-QFIPXVFZSA-N 2 2 365.477 2.556 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000731836717 998290191 /nfs/dbraw/zinc/29/01/91/998290191.db2.gz CBXONDXXZJQFOK-UXHICEINSA-N 2 2 373.928 2.908 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000731836717 998290199 /nfs/dbraw/zinc/29/01/99/998290199.db2.gz CBXONDXXZJQFOK-UXHICEINSA-N 2 2 373.928 2.908 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000731836717 998290207 /nfs/dbraw/zinc/29/02/07/998290207.db2.gz CBXONDXXZJQFOK-UXHICEINSA-N 2 2 373.928 2.908 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000731836717 998290217 /nfs/dbraw/zinc/29/02/17/998290217.db2.gz CBXONDXXZJQFOK-UXHICEINSA-N 2 2 373.928 2.908 20 30 FFEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001085231596 999223952 /nfs/dbraw/zinc/22/39/52/999223952.db2.gz ILRHSOQTJNAFBI-NCXUSEDFSA-N 2 2 363.465 2.602 20 30 FFEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001085231596 999223958 /nfs/dbraw/zinc/22/39/58/999223958.db2.gz ILRHSOQTJNAFBI-NCXUSEDFSA-N 2 2 363.465 2.602 20 30 FFEDLP C[NH+]1CCC(CNC(=S)Nc2ccccc2C#N)([NH+]2CCCCC2)CC1 ZINC000741875370 999747279 /nfs/dbraw/zinc/74/72/79/999747279.db2.gz MAZQQIJZLUTTFZ-UHFFFAOYSA-N 2 2 371.554 2.795 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001109466253 1000514188 /nfs/dbraw/zinc/51/41/88/1000514188.db2.gz RVFBWOFCEQAZSC-QYZOEREBSA-N 2 2 354.498 2.510 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001109466253 1000514194 /nfs/dbraw/zinc/51/41/94/1000514194.db2.gz RVFBWOFCEQAZSC-QYZOEREBSA-N 2 2 354.498 2.510 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001109466253 1000514198 /nfs/dbraw/zinc/51/41/98/1000514198.db2.gz RVFBWOFCEQAZSC-QYZOEREBSA-N 2 2 354.498 2.510 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001109466253 1000514203 /nfs/dbraw/zinc/51/42/03/1000514203.db2.gz RVFBWOFCEQAZSC-QYZOEREBSA-N 2 2 354.498 2.510 20 30 FFEDLP C#CCOc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000772963931 1000573369 /nfs/dbraw/zinc/57/33/69/1000573369.db2.gz KGLNBEYWDPITQX-IBGZPJMESA-N 2 2 350.466 2.846 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086593466 1002553330 /nfs/dbraw/zinc/55/33/30/1002553330.db2.gz YNDXROQQIJCZQK-FTEYMNFISA-N 2 2 350.466 2.674 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086593466 1002553341 /nfs/dbraw/zinc/55/33/41/1002553341.db2.gz YNDXROQQIJCZQK-FTEYMNFISA-N 2 2 350.466 2.674 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086593466 1002553353 /nfs/dbraw/zinc/55/33/53/1002553353.db2.gz YNDXROQQIJCZQK-FTEYMNFISA-N 2 2 350.466 2.674 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086593466 1002553363 /nfs/dbraw/zinc/55/33/63/1002553363.db2.gz YNDXROQQIJCZQK-FTEYMNFISA-N 2 2 350.466 2.674 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193996490 1004636283 /nfs/dbraw/zinc/63/62/83/1004636283.db2.gz FZQMCNCFVATEHL-CEXWTWQISA-N 2 2 364.534 2.602 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193996490 1004636286 /nfs/dbraw/zinc/63/62/86/1004636286.db2.gz FZQMCNCFVATEHL-CEXWTWQISA-N 2 2 364.534 2.602 20 30 FFEDLP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1)n1cc[nH+]c1 ZINC001488954775 1005385599 /nfs/dbraw/zinc/38/55/99/1005385599.db2.gz VRZRHHCJJJQQLE-FUHIMQAGSA-N 2 2 365.481 2.781 20 30 FFEDLP Cc1[nH]c(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)[nH+]c1C ZINC000886664620 1008803932 /nfs/dbraw/zinc/80/39/32/1008803932.db2.gz SDNYHTPVCKJGHH-MRXNPFEDSA-N 2 2 369.494 2.945 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094562547 1011220001 /nfs/dbraw/zinc/22/00/01/1011220001.db2.gz YMQWEQYGVWMRHT-IEBWSBKVSA-N 2 2 362.905 2.875 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001094562547 1011220016 /nfs/dbraw/zinc/22/00/16/1011220016.db2.gz YMQWEQYGVWMRHT-IEBWSBKVSA-N 2 2 362.905 2.875 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C[C@H]1C#N ZINC001172992309 1012198156 /nfs/dbraw/zinc/19/81/56/1012198156.db2.gz VNZBHVVCDDSJQH-JYJNAYRXSA-N 2 2 359.474 2.814 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000303908843 1012517248 /nfs/dbraw/zinc/51/72/48/1012517248.db2.gz XVAGTXAZNJORTG-KRWDZBQOSA-N 2 2 360.433 2.872 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001097249141 1017270889 /nfs/dbraw/zinc/27/08/89/1017270889.db2.gz NEVQPWJVDDHLMF-CGXNFDGLSA-N 2 2 355.526 2.696 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001097249141 1017270896 /nfs/dbraw/zinc/27/08/96/1017270896.db2.gz NEVQPWJVDDHLMF-CGXNFDGLSA-N 2 2 355.526 2.696 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001097249141 1017270905 /nfs/dbraw/zinc/27/09/05/1017270905.db2.gz NEVQPWJVDDHLMF-CGXNFDGLSA-N 2 2 355.526 2.696 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001097249141 1017270915 /nfs/dbraw/zinc/27/09/15/1017270915.db2.gz NEVQPWJVDDHLMF-CGXNFDGLSA-N 2 2 355.526 2.696 20 30 FFEDLP C=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001047256082 1019063503 /nfs/dbraw/zinc/06/35/03/1019063503.db2.gz GGQRFPYXLIGVSX-GUDVDZBRSA-N 2 2 356.514 2.660 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365625768 1019935960 /nfs/dbraw/zinc/93/59/60/1019935960.db2.gz HZMODQFBOXTXSP-KQNFGGRRSA-N 2 2 371.529 2.919 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365625768 1019935966 /nfs/dbraw/zinc/93/59/66/1019935966.db2.gz HZMODQFBOXTXSP-KQNFGGRRSA-N 2 2 371.529 2.919 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001110992262 1020052076 /nfs/dbraw/zinc/05/20/76/1020052076.db2.gz VBUMWMVSBWPQFZ-RSPOEFSDSA-N 2 2 372.488 2.505 20 30 FFEDLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001111074923 1021243492 /nfs/dbraw/zinc/24/34/92/1021243492.db2.gz HNJMODUBOASCMG-XLNTUCKNSA-N 2 2 363.465 2.628 20 30 FFEDLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001111074923 1021243502 /nfs/dbraw/zinc/24/35/02/1021243502.db2.gz HNJMODUBOASCMG-XLNTUCKNSA-N 2 2 363.465 2.628 20 30 FFEDLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001111466026 1021786370 /nfs/dbraw/zinc/78/63/70/1021786370.db2.gz CSHXZRYNILZGPP-AQNXPRMDSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001111466026 1021786386 /nfs/dbraw/zinc/78/63/86/1021786386.db2.gz CSHXZRYNILZGPP-AQNXPRMDSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001111466026 1021786399 /nfs/dbraw/zinc/78/63/99/1021786399.db2.gz CSHXZRYNILZGPP-AQNXPRMDSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001111466026 1021786412 /nfs/dbraw/zinc/78/64/12/1021786412.db2.gz CSHXZRYNILZGPP-AQNXPRMDSA-N 2 2 373.928 2.753 20 30 FFEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)[nH+]1 ZINC001118872577 1022452415 /nfs/dbraw/zinc/45/24/15/1022452415.db2.gz CFTZIXKIVDDSMT-RBUKOAKNSA-N 2 2 366.465 2.578 20 30 FFEDLP CN(C(=O)C#Cc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755216022 1023579591 /nfs/dbraw/zinc/57/95/91/1023579591.db2.gz ZDXIQTAHUCWNMP-YADHBBJMSA-N 2 2 367.537 2.834 20 30 FFEDLP CN(C(=O)C#Cc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755216022 1023579595 /nfs/dbraw/zinc/57/95/95/1023579595.db2.gz ZDXIQTAHUCWNMP-YADHBBJMSA-N 2 2 367.537 2.834 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103606664 1027771132 /nfs/dbraw/zinc/77/11/32/1027771132.db2.gz WHQNOAYJCOFHQY-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103606664 1027771150 /nfs/dbraw/zinc/77/11/50/1027771150.db2.gz WHQNOAYJCOFHQY-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001112439780 1030813407 /nfs/dbraw/zinc/81/34/07/1030813407.db2.gz HQTLTDWKBHLNDF-LQWHRVPQSA-N 2 2 356.514 2.630 20 30 FFEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205439621 1031744968 /nfs/dbraw/zinc/74/49/68/1031744968.db2.gz CWSRFTWRNLHCQT-LSTHTHJFSA-N 2 2 368.456 2.581 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205458257 1031763476 /nfs/dbraw/zinc/76/34/76/1031763476.db2.gz FNWZFAYABRVIGO-RBUKOAKNSA-N 2 2 356.445 2.573 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205634920 1031892756 /nfs/dbraw/zinc/89/27/56/1031892756.db2.gz ARROILROFXQJHK-AZUAARDMSA-N 2 2 370.472 2.963 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221712323 1035004037 /nfs/dbraw/zinc/00/40/37/1035004037.db2.gz UNPLMUOBOBYQNB-SJLPKXTDSA-N 2 2 353.938 2.926 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221712323 1035004044 /nfs/dbraw/zinc/00/40/44/1035004044.db2.gz UNPLMUOBOBYQNB-SJLPKXTDSA-N 2 2 353.938 2.926 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221712323 1035004052 /nfs/dbraw/zinc/00/40/52/1035004052.db2.gz UNPLMUOBOBYQNB-SJLPKXTDSA-N 2 2 353.938 2.926 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221712323 1035004059 /nfs/dbraw/zinc/00/40/59/1035004059.db2.gz UNPLMUOBOBYQNB-SJLPKXTDSA-N 2 2 353.938 2.926 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139877912 1035264960 /nfs/dbraw/zinc/26/49/60/1035264960.db2.gz YEASACZOTFYVBF-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139877912 1035264963 /nfs/dbraw/zinc/26/49/63/1035264963.db2.gz YEASACZOTFYVBF-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139877912 1035264969 /nfs/dbraw/zinc/26/49/69/1035264969.db2.gz YEASACZOTFYVBF-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139877912 1035264975 /nfs/dbraw/zinc/26/49/75/1035264975.db2.gz YEASACZOTFYVBF-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c2c1 ZINC001140113318 1035345238 /nfs/dbraw/zinc/34/52/38/1035345238.db2.gz WPBCZAAGDWYDMY-WOJBJXKFSA-N 2 2 357.461 2.998 20 30 FFEDLP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)[C@H]2CC ZINC001235487458 1037580372 /nfs/dbraw/zinc/58/03/72/1037580372.db2.gz FNOZEYVMXHECOY-URVUXULASA-N 2 2 355.526 2.978 20 30 FFEDLP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]([NH3+])Cc1ccccc1)[C@H]2CC ZINC001235487458 1037580388 /nfs/dbraw/zinc/58/03/88/1037580388.db2.gz FNOZEYVMXHECOY-URVUXULASA-N 2 2 355.526 2.978 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001208067524 1037991856 /nfs/dbraw/zinc/99/18/56/1037991856.db2.gz LSYJDPWHAQIKEQ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246308405 1039308967 /nfs/dbraw/zinc/30/89/67/1039308967.db2.gz REUDWCILTCMQDZ-JBACZVJFSA-N 3 2 373.541 2.856 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001246308405 1039308984 /nfs/dbraw/zinc/30/89/84/1039308984.db2.gz REUDWCILTCMQDZ-JBACZVJFSA-N 3 2 373.541 2.856 20 30 FFEDLP C=CCC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252598435 1039609743 /nfs/dbraw/zinc/60/97/43/1039609743.db2.gz NXDSHMWOYCWKBU-MOPGFXCFSA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@@H](O)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252598435 1039609750 /nfs/dbraw/zinc/60/97/50/1039609750.db2.gz NXDSHMWOYCWKBU-MOPGFXCFSA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001252598435 1039609758 /nfs/dbraw/zinc/60/97/58/1039609758.db2.gz NXDSHMWOYCWKBU-MOPGFXCFSA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001252598435 1039609765 /nfs/dbraw/zinc/60/97/65/1039609765.db2.gz NXDSHMWOYCWKBU-MOPGFXCFSA-N 2 2 365.468 2.942 20 30 FFEDLP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(Cl)c3C#N)(C1)CCC2 ZINC001278692910 1039931990 /nfs/dbraw/zinc/93/19/90/1039931990.db2.gz XBHVSEJRUVDGHI-UXHICEINSA-N 2 2 374.916 2.824 20 30 FFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1OCC ZINC001264529953 1042702388 /nfs/dbraw/zinc/70/23/88/1042702388.db2.gz RRPHSTNICHTDBQ-WRWLIDTKSA-N 2 2 370.497 2.984 20 30 FFEDLP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001326482067 1046950814 /nfs/dbraw/zinc/95/08/14/1046950814.db2.gz UVXPKDPIALOWEU-KFKAGJAMSA-N 2 2 350.466 2.514 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001342532926 1051136647 /nfs/dbraw/zinc/13/66/47/1051136647.db2.gz HIEXZQLXESTQTE-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001351615713 1054923930 /nfs/dbraw/zinc/92/39/30/1054923930.db2.gz LQXLIHUZWMAOHN-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001351615713 1054923937 /nfs/dbraw/zinc/92/39/37/1054923937.db2.gz LQXLIHUZWMAOHN-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001200629364 1058851565 /nfs/dbraw/zinc/85/15/65/1058851565.db2.gz ZGOSRGQKWBKESI-IEBWSBKVSA-N 2 2 356.514 2.701 20 30 FFEDLP CC(C)C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568330480 1077087416 /nfs/dbraw/zinc/08/74/16/1077087416.db2.gz BEYVRTXFJVTGBA-GUDVDZBRSA-N 2 2 365.481 2.706 20 30 FFEDLP CC(C)C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568330480 1077087420 /nfs/dbraw/zinc/08/74/20/1077087420.db2.gz BEYVRTXFJVTGBA-GUDVDZBRSA-N 2 2 365.481 2.706 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc(F)cc3C#N)CCC[NH+]2C)cn1 ZINC000328632237 210120052 /nfs/dbraw/zinc/12/00/52/210120052.db2.gz LFFZPGPAISATAZ-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc(F)cc3C#N)CCC[NH+]2C)cn1 ZINC000328632237 210120055 /nfs/dbraw/zinc/12/00/55/210120055.db2.gz LFFZPGPAISATAZ-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(F)cc3C#N)CCC[N@@H+]2C)cn1 ZINC000328632237 210120059 /nfs/dbraw/zinc/12/00/59/210120059.db2.gz LFFZPGPAISATAZ-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(F)cc3C#N)CCC[N@H+]2C)cn1 ZINC000328632237 210120061 /nfs/dbraw/zinc/12/00/61/210120061.db2.gz LFFZPGPAISATAZ-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)cc1 ZINC000290313630 257325223 /nfs/dbraw/zinc/32/52/23/257325223.db2.gz CLPOHWIMJRUKTG-UHFFFAOYSA-N 2 2 374.448 2.946 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccn4cc[nH+]c4c3)CC2)cc1 ZINC000290313630 257325224 /nfs/dbraw/zinc/32/52/24/257325224.db2.gz CLPOHWIMJRUKTG-UHFFFAOYSA-N 2 2 374.448 2.946 20 30 FFEDLP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868956 507867489 /nfs/dbraw/zinc/86/74/89/507867489.db2.gz MRALCFLLIGBJNX-FQEVSTJZSA-N 2 2 362.477 2.951 20 30 FFEDLP C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868956 507867493 /nfs/dbraw/zinc/86/74/93/507867493.db2.gz MRALCFLLIGBJNX-FQEVSTJZSA-N 2 2 362.477 2.951 20 30 FFEDLP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868956 507867495 /nfs/dbraw/zinc/86/74/95/507867495.db2.gz MRALCFLLIGBJNX-FQEVSTJZSA-N 2 2 362.477 2.951 20 30 FFEDLP C[NH+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868956 507867498 /nfs/dbraw/zinc/86/74/98/507867498.db2.gz MRALCFLLIGBJNX-FQEVSTJZSA-N 2 2 362.477 2.951 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000090004363 507900522 /nfs/dbraw/zinc/90/05/22/507900522.db2.gz KDGYVRMQAMQKQK-AWEZNQCLSA-N 2 2 357.483 2.637 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000090004363 507900527 /nfs/dbraw/zinc/90/05/27/507900527.db2.gz KDGYVRMQAMQKQK-AWEZNQCLSA-N 2 2 357.483 2.637 20 30 FFEDLP C=CC[C@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000373515471 512372603 /nfs/dbraw/zinc/37/26/03/512372603.db2.gz YRRMLXPHZWBCRD-RXVVDRJESA-N 2 2 355.526 2.973 20 30 FFEDLP C=CC[C@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000373515471 512372608 /nfs/dbraw/zinc/37/26/08/512372608.db2.gz YRRMLXPHZWBCRD-RXVVDRJESA-N 2 2 355.526 2.973 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152482934 508454993 /nfs/dbraw/zinc/45/49/93/508454993.db2.gz NUWGILAUXYEINW-SFHVURJKSA-N 2 2 372.513 2.606 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152482934 508454996 /nfs/dbraw/zinc/45/49/96/508454996.db2.gz NUWGILAUXYEINW-SFHVURJKSA-N 2 2 372.513 2.606 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000152482934 508455001 /nfs/dbraw/zinc/45/50/01/508455001.db2.gz NUWGILAUXYEINW-SFHVURJKSA-N 2 2 372.513 2.606 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000152482934 508455002 /nfs/dbraw/zinc/45/50/02/508455002.db2.gz NUWGILAUXYEINW-SFHVURJKSA-N 2 2 372.513 2.606 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000152991480 508537821 /nfs/dbraw/zinc/53/78/21/508537821.db2.gz MTZGFSYDZOPZEA-OAHLLOKOSA-N 2 2 366.527 2.790 20 30 FFEDLP C=CCOc1ccccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154316213 508759349 /nfs/dbraw/zinc/75/93/49/508759349.db2.gz VLIOHERMOKUZPN-DFNIBXOVSA-N 2 2 369.509 2.634 20 30 FFEDLP C=CCOc1ccccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154316213 508759352 /nfs/dbraw/zinc/75/93/52/508759352.db2.gz VLIOHERMOKUZPN-DFNIBXOVSA-N 2 2 369.509 2.634 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151257256 508988250 /nfs/dbraw/zinc/98/82/50/508988250.db2.gz ONPZGVCSNCIABJ-WBTXTPOCSA-N 2 2 369.513 2.523 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248201134 509258405 /nfs/dbraw/zinc/25/84/05/509258405.db2.gz YSVNIPUUFRYELZ-LEWJYISDSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248201134 509258409 /nfs/dbraw/zinc/25/84/09/509258409.db2.gz YSVNIPUUFRYELZ-LEWJYISDSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248201134 509258418 /nfs/dbraw/zinc/25/84/18/509258418.db2.gz YSVNIPUUFRYELZ-LEWJYISDSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248201134 509258422 /nfs/dbraw/zinc/25/84/22/509258422.db2.gz YSVNIPUUFRYELZ-LEWJYISDSA-N 2 2 368.525 2.735 20 30 FFEDLP Cc1oc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185708163 509318192 /nfs/dbraw/zinc/31/81/92/509318192.db2.gz QCNRDKBVFYWLHJ-GOEBONIOSA-N 2 2 358.486 2.949 20 30 FFEDLP Cc1oc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185708163 509318198 /nfs/dbraw/zinc/31/81/98/509318198.db2.gz QCNRDKBVFYWLHJ-GOEBONIOSA-N 2 2 358.486 2.949 20 30 FFEDLP N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000192244878 509425019 /nfs/dbraw/zinc/42/50/19/509425019.db2.gz IJERGXGVUJWQEZ-OAQYLSRUSA-N 2 2 371.444 2.635 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000264490685 509559594 /nfs/dbraw/zinc/55/95/94/509559594.db2.gz VWJSIAPPEMHDIB-KRWDZBQOSA-N 2 2 372.513 2.852 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249423596 509676953 /nfs/dbraw/zinc/67/69/53/509676953.db2.gz IARQFNFYBDEZSN-ZWOKBUDYSA-N 2 2 372.513 2.612 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249423596 509676963 /nfs/dbraw/zinc/67/69/63/509676963.db2.gz IARQFNFYBDEZSN-ZWOKBUDYSA-N 2 2 372.513 2.612 20 30 FFEDLP CC[NH+]=C(NCCc1c(C)noc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261985144 510138490 /nfs/dbraw/zinc/13/84/90/510138490.db2.gz PWFYSOSFOUFKQL-KSSFIOAISA-N 2 2 358.490 2.579 20 30 FFEDLP CC/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262019860 510150858 /nfs/dbraw/zinc/15/08/58/510150858.db2.gz YMOMRGOWIMYXNB-HOCLYGCPSA-N 2 2 371.514 2.641 20 30 FFEDLP Cc1nn(C)c(C)c1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181440284 510409070 /nfs/dbraw/zinc/40/90/70/510409070.db2.gz HXYAQXMANAEDEU-UHFFFAOYSA-N 2 2 351.498 2.705 20 30 FFEDLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CCCCCC4)[nH+]c3)C2)C1 ZINC000330185508 510932638 /nfs/dbraw/zinc/93/26/38/510932638.db2.gz RINRPEQSHOLGJM-OAQYLSRUSA-N 2 2 371.529 2.904 20 30 FFEDLP C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CCCCCC4)[nH+]c3)C2)C1 ZINC000330185508 510932644 /nfs/dbraw/zinc/93/26/44/510932644.db2.gz RINRPEQSHOLGJM-OAQYLSRUSA-N 2 2 371.529 2.904 20 30 FFEDLP [O-]C(NCC1([NH+]2CCCCC2)CCCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330241209 510945702 /nfs/dbraw/zinc/94/57/02/510945702.db2.gz IYACDCMCVRXLTC-KRWDZBQOSA-N 2 2 359.518 2.890 20 30 FFEDLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330241209 510945707 /nfs/dbraw/zinc/94/57/07/510945707.db2.gz IYACDCMCVRXLTC-KRWDZBQOSA-N 2 2 359.518 2.890 20 30 FFEDLP C(#Cc1ccccc1)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286226464 511021161 /nfs/dbraw/zinc/02/11/61/511021161.db2.gz ZAGWCYPZRCZNPJ-XMMPIXPASA-N 2 2 359.517 2.930 20 30 FFEDLP C(#Cc1ccccc1)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286226464 511021164 /nfs/dbraw/zinc/02/11/64/511021164.db2.gz ZAGWCYPZRCZNPJ-XMMPIXPASA-N 2 2 359.517 2.930 20 30 FFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@@H]21 ZINC000279487141 511100539 /nfs/dbraw/zinc/10/05/39/511100539.db2.gz XQHHSFVTSNQDMX-ICSRJNTNSA-N 2 2 364.497 2.775 20 30 FFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@@H]21 ZINC000279487141 511100544 /nfs/dbraw/zinc/10/05/44/511100544.db2.gz XQHHSFVTSNQDMX-ICSRJNTNSA-N 2 2 364.497 2.775 20 30 FFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@@H]21 ZINC000279487141 511100549 /nfs/dbraw/zinc/10/05/49/511100549.db2.gz XQHHSFVTSNQDMX-ICSRJNTNSA-N 2 2 364.497 2.775 20 30 FFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@@H]21 ZINC000279487141 511100551 /nfs/dbraw/zinc/10/05/51/511100551.db2.gz XQHHSFVTSNQDMX-ICSRJNTNSA-N 2 2 364.497 2.775 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292879511 511755908 /nfs/dbraw/zinc/75/59/08/511755908.db2.gz DWKYJUMBIVYGCB-WIYYLYMNSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292879511 511755912 /nfs/dbraw/zinc/75/59/12/511755912.db2.gz DWKYJUMBIVYGCB-WIYYLYMNSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292879511 511755922 /nfs/dbraw/zinc/75/59/22/511755922.db2.gz DWKYJUMBIVYGCB-WIYYLYMNSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292879511 511755929 /nfs/dbraw/zinc/75/59/29/511755929.db2.gz DWKYJUMBIVYGCB-WIYYLYMNSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292879508 511756132 /nfs/dbraw/zinc/75/61/32/511756132.db2.gz DWKYJUMBIVYGCB-RXVVDRJESA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292879508 511756139 /nfs/dbraw/zinc/75/61/39/511756139.db2.gz DWKYJUMBIVYGCB-RXVVDRJESA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292879508 511756143 /nfs/dbraw/zinc/75/61/43/511756143.db2.gz DWKYJUMBIVYGCB-RXVVDRJESA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292879508 511756149 /nfs/dbraw/zinc/75/61/49/511756149.db2.gz DWKYJUMBIVYGCB-RXVVDRJESA-N 2 2 354.498 2.739 20 30 FFEDLP CCc1nc(C)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000328617120 511893301 /nfs/dbraw/zinc/89/33/01/511893301.db2.gz TWXYMUJMQICZHN-UHFFFAOYSA-N 2 2 365.547 2.898 20 30 FFEDLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000328746378 511925717 /nfs/dbraw/zinc/92/57/17/511925717.db2.gz PTIGCGVPQWEMJA-QGZVFWFLSA-N 2 2 357.502 2.525 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC000329027724 511969786 /nfs/dbraw/zinc/96/97/86/511969786.db2.gz WBRHNQBQNAFREF-HNNXBMFYSA-N 2 2 363.506 2.813 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC000329027724 511969791 /nfs/dbraw/zinc/96/97/91/511969791.db2.gz WBRHNQBQNAFREF-HNNXBMFYSA-N 2 2 363.506 2.813 20 30 FFEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C)[C@@H](C)[C@H]3C)n2)C1 ZINC000329120787 511987018 /nfs/dbraw/zinc/98/70/18/511987018.db2.gz QBURDWGWOOKPBN-QLFBSQMISA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C)[C@@H](C)[C@H]3C)n2)C1 ZINC000329120787 511987021 /nfs/dbraw/zinc/98/70/21/511987021.db2.gz QBURDWGWOOKPBN-QLFBSQMISA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+](C)[C@@H](C)[C@H]3C)n2)C1 ZINC000329120787 511987027 /nfs/dbraw/zinc/98/70/27/511987027.db2.gz QBURDWGWOOKPBN-QLFBSQMISA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+](C)[C@@H](C)[C@H]3C)n2)C1 ZINC000329120787 511987030 /nfs/dbraw/zinc/98/70/30/511987030.db2.gz QBURDWGWOOKPBN-QLFBSQMISA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000329194100 512001949 /nfs/dbraw/zinc/00/19/49/512001949.db2.gz SRXATFUZNDKBRR-CTVHLWBWSA-N 2 2 350.507 2.993 20 30 FFEDLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000329194100 512001954 /nfs/dbraw/zinc/00/19/54/512001954.db2.gz SRXATFUZNDKBRR-CTVHLWBWSA-N 2 2 350.507 2.993 20 30 FFEDLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329194100 512001961 /nfs/dbraw/zinc/00/19/61/512001961.db2.gz SRXATFUZNDKBRR-CTVHLWBWSA-N 2 2 350.507 2.993 20 30 FFEDLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329194100 512001968 /nfs/dbraw/zinc/00/19/68/512001968.db2.gz SRXATFUZNDKBRR-CTVHLWBWSA-N 2 2 350.507 2.993 20 30 FFEDLP C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000413812611 513827622 /nfs/dbraw/zinc/82/76/22/513827622.db2.gz CFGHLOWTINDMNG-FQEVSTJZSA-N 2 2 372.557 2.841 20 30 FFEDLP C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000413812611 513827629 /nfs/dbraw/zinc/82/76/29/513827629.db2.gz CFGHLOWTINDMNG-FQEVSTJZSA-N 2 2 372.557 2.841 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000432376721 514177263 /nfs/dbraw/zinc/17/72/63/514177263.db2.gz YXLJOJXIXUUDLS-MAODMQOUSA-N 2 2 362.477 2.727 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000432376721 514177268 /nfs/dbraw/zinc/17/72/68/514177268.db2.gz YXLJOJXIXUUDLS-MAODMQOUSA-N 2 2 362.477 2.727 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000449505953 514231285 /nfs/dbraw/zinc/23/12/85/514231285.db2.gz KDGNCSAFBJXJGM-FGZHOGPDSA-N 2 2 353.510 2.909 20 30 FFEDLP C=C(CC)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000459090585 515314879 /nfs/dbraw/zinc/31/48/79/515314879.db2.gz ZWGUZPKGOHPWNJ-MOPGFXCFSA-N 2 2 350.551 2.931 20 30 FFEDLP C=C(CC)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459090585 515314887 /nfs/dbraw/zinc/31/48/87/515314887.db2.gz ZWGUZPKGOHPWNJ-MOPGFXCFSA-N 2 2 350.551 2.931 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(C)C ZINC000512334450 516244067 /nfs/dbraw/zinc/24/40/67/516244067.db2.gz SBEXTOMHRMMLAO-VAMGGRTRSA-N 2 2 370.541 2.969 20 30 FFEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512610807 516313041 /nfs/dbraw/zinc/31/30/41/516313041.db2.gz FCIAPIQLRHYHOH-HRAATJIYSA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512610807 516313043 /nfs/dbraw/zinc/31/30/43/516313043.db2.gz FCIAPIQLRHYHOH-HRAATJIYSA-N 2 2 353.441 2.985 20 30 FFEDLP CN(C(=O)NCC(C)(C)C#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000512888062 516401879 /nfs/dbraw/zinc/40/18/79/516401879.db2.gz FDRGNAZGCHBHMO-ZWKOTPCHSA-N 2 2 363.550 2.515 20 30 FFEDLP CN(C(=O)NCC(C)(C)C#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000512888062 516401886 /nfs/dbraw/zinc/40/18/86/516401886.db2.gz FDRGNAZGCHBHMO-ZWKOTPCHSA-N 2 2 363.550 2.515 20 30 FFEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000519177187 516913612 /nfs/dbraw/zinc/91/36/12/516913612.db2.gz WNEDHBWOAAIQGO-FQEVSTJZSA-N 2 2 356.514 2.736 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000543041715 517878727 /nfs/dbraw/zinc/87/87/27/517878727.db2.gz RZQBSTZCFIFHLS-UHFFFAOYSA-N 2 2 359.518 2.735 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000550327779 517998757 /nfs/dbraw/zinc/99/87/57/517998757.db2.gz IHUSPEUUIUVPCG-RBBKRZOGSA-N 2 2 365.477 2.725 20 30 FFEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000583378713 519218220 /nfs/dbraw/zinc/21/82/20/519218220.db2.gz IESQQZGTNZEPSW-HOTGVXAUSA-N 2 2 366.868 2.753 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609635671 520390821 /nfs/dbraw/zinc/39/08/21/520390821.db2.gz FNHMKJRJNQSNKZ-APWZRJJASA-N 2 2 369.444 2.994 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609635671 520390823 /nfs/dbraw/zinc/39/08/23/520390823.db2.gz FNHMKJRJNQSNKZ-APWZRJJASA-N 2 2 369.444 2.994 20 30 FFEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000600720846 520423050 /nfs/dbraw/zinc/42/30/50/520423050.db2.gz IMYJSEXLDCQUGU-IEBWSBKVSA-N 2 2 359.514 2.777 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595509169 520519717 /nfs/dbraw/zinc/51/97/17/520519717.db2.gz CXEWXWCBZYLOLV-OAQYLSRUSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1sccc1N1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000597183605 521563383 /nfs/dbraw/zinc/56/33/83/521563383.db2.gz NADYZDRIQCEGQB-UHFFFAOYSA-N 2 2 350.451 2.523 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000602845403 521567613 /nfs/dbraw/zinc/56/76/13/521567613.db2.gz KBEPZXMMWVQESX-HNNXBMFYSA-N 2 2 367.453 2.702 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000602845403 521567620 /nfs/dbraw/zinc/56/76/20/521567620.db2.gz KBEPZXMMWVQESX-HNNXBMFYSA-N 2 2 367.453 2.702 20 30 FFEDLP C=CCCC(C)(C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000632979014 522446057 /nfs/dbraw/zinc/44/60/57/522446057.db2.gz MPNWFXVPBAZAAA-UHFFFAOYSA-N 2 2 350.551 2.837 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000730098740 734615000 /nfs/dbraw/zinc/61/50/00/734615000.db2.gz OKRBJHJLLMNYPN-IBGZPJMESA-N 2 2 357.523 2.580 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000730098740 734615002 /nfs/dbraw/zinc/61/50/02/734615002.db2.gz OKRBJHJLLMNYPN-IBGZPJMESA-N 2 2 357.523 2.580 20 30 FFEDLP CN(c1ccccc1C[NH2+]Cc1nc(C#N)cs1)C1CC[NH+](C)CC1 ZINC000897633203 735257851 /nfs/dbraw/zinc/25/78/51/735257851.db2.gz XOVKZXPHZFGUSP-UHFFFAOYSA-N 2 2 355.511 2.835 20 30 FFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOCC(F)(F)C(F)(F)F)cc1 ZINC000786746996 739074495 /nfs/dbraw/zinc/07/44/95/739074495.db2.gz RHOWAHWPAUHYEK-UHFFFAOYSA-N 2 2 369.334 2.599 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087158343 963997380 /nfs/dbraw/zinc/99/73/80/963997380.db2.gz YOMBIKCSKDBXOO-APWZRJJASA-N 2 2 365.481 2.631 20 30 FFEDLP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261961418 965065985 /nfs/dbraw/zinc/06/59/85/965065985.db2.gz KIILTNXHJWDHCP-FKSLSLAPSA-N 2 2 373.545 2.935 20 30 FFEDLP C=CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@H](C)COC ZINC000661240109 973971724 /nfs/dbraw/zinc/97/17/24/973971724.db2.gz LJLFUWRYRXCGAX-HXUWFJFHSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@H](C)COC ZINC000661240109 973971732 /nfs/dbraw/zinc/97/17/32/973971732.db2.gz LJLFUWRYRXCGAX-HXUWFJFHSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@H](C)COC ZINC000661240109 973971741 /nfs/dbraw/zinc/97/17/41/973971741.db2.gz LJLFUWRYRXCGAX-HXUWFJFHSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@H](C)COC ZINC000661240109 973971750 /nfs/dbraw/zinc/97/17/50/973971750.db2.gz LJLFUWRYRXCGAX-HXUWFJFHSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@H](C)COC ZINC000661242992 973974787 /nfs/dbraw/zinc/97/47/87/973974787.db2.gz HXKIDZBROXHZCI-HXUWFJFHSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@H](C)COC ZINC000661242992 973974801 /nfs/dbraw/zinc/97/48/01/973974801.db2.gz HXKIDZBROXHZCI-HXUWFJFHSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H](C)COC ZINC000661242992 973974804 /nfs/dbraw/zinc/97/48/04/973974804.db2.gz HXKIDZBROXHZCI-HXUWFJFHSA-N 2 2 373.541 2.552 20 30 FFEDLP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC000981775143 976775541 /nfs/dbraw/zinc/77/55/41/976775541.db2.gz UUBYZGGBOLYJLW-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC000981775143 976775547 /nfs/dbraw/zinc/77/55/47/976775547.db2.gz UUBYZGGBOLYJLW-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C#N)n3)cc2F)CC1 ZINC000877012079 1014449268 /nfs/dbraw/zinc/44/92/68/1014449268.db2.gz MNXOQEQSHXYBDY-UHFFFAOYSA-N 2 2 353.445 2.524 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001112537186 980737838 /nfs/dbraw/zinc/73/78/38/980737838.db2.gz ULHOOMXYLJGVGZ-RYRKJORJSA-N 2 2 350.894 2.805 20 30 FFEDLP CC(=N[S@](=O)C(C)(C)C)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1 ZINC001168746094 989323390 /nfs/dbraw/zinc/32/33/90/989323390.db2.gz BGYOQAZOAWBWRA-GNHCGYKESA-N 2 2 363.531 2.552 20 30 FFEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001034647622 990150545 /nfs/dbraw/zinc/15/05/45/990150545.db2.gz SBOALQTYCCMVLA-NCXUSEDFSA-N 2 2 356.514 2.747 20 30 FFEDLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000879569370 1015590296 /nfs/dbraw/zinc/59/02/96/1015590296.db2.gz OBFFKPJPECFWSQ-YOEHRIQHSA-N 2 2 372.538 2.853 20 30 FFEDLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000879569370 1015590307 /nfs/dbraw/zinc/59/03/07/1015590307.db2.gz OBFFKPJPECFWSQ-YOEHRIQHSA-N 2 2 372.538 2.853 20 30 FFEDLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000879569370 1015590315 /nfs/dbraw/zinc/59/03/15/1015590315.db2.gz OBFFKPJPECFWSQ-YOEHRIQHSA-N 2 2 372.538 2.853 20 30 FFEDLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC000879569370 1015590327 /nfs/dbraw/zinc/59/03/27/1015590327.db2.gz OBFFKPJPECFWSQ-YOEHRIQHSA-N 2 2 372.538 2.853 20 30 FFEDLP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479301 1016001310 /nfs/dbraw/zinc/00/13/10/1016001310.db2.gz IYPBIGUQZKBECC-WTGUMLROSA-N 2 2 368.525 2.795 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479301 1016001320 /nfs/dbraw/zinc/00/13/20/1016001320.db2.gz IYPBIGUQZKBECC-WTGUMLROSA-N 2 2 368.525 2.795 20 30 FFEDLP C[NH+]1CCN(c2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)nc2)CC1 ZINC001171186284 998559296 /nfs/dbraw/zinc/55/92/96/998559296.db2.gz PONUZTLRTYDPHJ-UHFFFAOYSA-N 2 2 361.449 2.729 20 30 FFEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000740898937 999690290 /nfs/dbraw/zinc/69/02/90/999690290.db2.gz HZBFVGHXVCRRNP-GMAHTHKFSA-N 2 2 364.489 2.671 20 30 FFEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000740898937 999690294 /nfs/dbraw/zinc/69/02/94/999690294.db2.gz HZBFVGHXVCRRNP-GMAHTHKFSA-N 2 2 364.489 2.671 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001109428239 1000439863 /nfs/dbraw/zinc/43/98/63/1000439863.db2.gz VBUMWMVSBWPQFZ-GTAWCEEGSA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001109428239 1000439864 /nfs/dbraw/zinc/43/98/64/1000439864.db2.gz VBUMWMVSBWPQFZ-GTAWCEEGSA-N 2 2 372.488 2.505 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000846834508 1000454661 /nfs/dbraw/zinc/45/46/61/1000454661.db2.gz CAUOGAPILQARTP-SFHVURJKSA-N 2 2 365.481 2.773 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C ZINC000846834508 1000454665 /nfs/dbraw/zinc/45/46/65/1000454665.db2.gz CAUOGAPILQARTP-SFHVURJKSA-N 2 2 365.481 2.773 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001109467099 1000515814 /nfs/dbraw/zinc/51/58/14/1000515814.db2.gz KMYBAKJAOMMGJV-RDGPPVDQSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001109467099 1000515820 /nfs/dbraw/zinc/51/58/20/1000515820.db2.gz KMYBAKJAOMMGJV-RDGPPVDQSA-N 2 2 356.514 2.913 20 30 FFEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001095499188 1016512616 /nfs/dbraw/zinc/51/26/16/1016512616.db2.gz TZRUHRPFNZGHBO-MLNNCEHLSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001095499188 1016512627 /nfs/dbraw/zinc/51/26/27/1016512627.db2.gz TZRUHRPFNZGHBO-MLNNCEHLSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095499188 1016512640 /nfs/dbraw/zinc/51/26/40/1016512640.db2.gz TZRUHRPFNZGHBO-MLNNCEHLSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095499188 1016512650 /nfs/dbraw/zinc/51/26/50/1016512650.db2.gz TZRUHRPFNZGHBO-MLNNCEHLSA-N 2 2 365.521 2.634 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599296 1002717526 /nfs/dbraw/zinc/71/75/26/1002717526.db2.gz HFPFTCUFBGJWIM-ZWKOTPCHSA-N 2 2 358.873 2.528 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599296 1002717535 /nfs/dbraw/zinc/71/75/35/1002717535.db2.gz HFPFTCUFBGJWIM-ZWKOTPCHSA-N 2 2 358.873 2.528 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)s1 ZINC001086722248 1006305790 /nfs/dbraw/zinc/30/57/90/1006305790.db2.gz SDJMSJANTIFIRG-NSNWQYSKSA-N 2 2 369.494 2.521 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)s1 ZINC001086722248 1006305804 /nfs/dbraw/zinc/30/58/04/1006305804.db2.gz SDJMSJANTIFIRG-NSNWQYSKSA-N 2 2 369.494 2.521 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188389132 1006542834 /nfs/dbraw/zinc/54/28/34/1006542834.db2.gz ZONBDBZXJLOQEE-NLWGTHIKSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188389132 1006542842 /nfs/dbraw/zinc/54/28/42/1006542842.db2.gz ZONBDBZXJLOQEE-NLWGTHIKSA-N 2 2 358.530 2.949 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001189640089 1007176326 /nfs/dbraw/zinc/17/63/26/1007176326.db2.gz IMIXVHHUCFDIAE-ABSDTBQOSA-N 2 2 365.481 2.768 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001189640089 1007176331 /nfs/dbraw/zinc/17/63/31/1007176331.db2.gz IMIXVHHUCFDIAE-ABSDTBQOSA-N 2 2 365.481 2.768 20 30 FFEDLP Oc1cccc(/C=[NH+]/CCC2(O)CC[NH+](Cc3ccccc3)CC2)c1O ZINC000887269784 1009116247 /nfs/dbraw/zinc/11/62/47/1009116247.db2.gz AYGFCTLEKNEQCL-PXLXIMEGSA-N 2 2 354.450 2.934 20 30 FFEDLP CC(C)[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000104160013 1009928473 /nfs/dbraw/zinc/92/84/73/1009928473.db2.gz CNTADNSNZFQWGO-HNNXBMFYSA-N 2 2 374.407 2.669 20 30 FFEDLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866255969 1010962931 /nfs/dbraw/zinc/96/29/31/1010962931.db2.gz HXPGDKGHUCQFTC-DYESRHJHSA-N 2 2 364.493 2.903 20 30 FFEDLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1O ZINC000866388465 1010986434 /nfs/dbraw/zinc/98/64/34/1010986434.db2.gz JVBGRFMZYQGFLF-KXBFYZLASA-N 2 2 351.450 2.681 20 30 FFEDLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1O ZINC000866388465 1010986437 /nfs/dbraw/zinc/98/64/37/1010986437.db2.gz JVBGRFMZYQGFLF-KXBFYZLASA-N 2 2 351.450 2.681 20 30 FFEDLP CCCCCCC[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275115016 1011958517 /nfs/dbraw/zinc/95/85/17/1011958517.db2.gz RHVYMEYJAWHQEH-HXUWFJFHSA-N 2 2 360.502 2.695 20 30 FFEDLP CCCCCCC[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275115016 1011958522 /nfs/dbraw/zinc/95/85/22/1011958522.db2.gz RHVYMEYJAWHQEH-HXUWFJFHSA-N 2 2 360.502 2.695 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@H]1C#N ZINC001172973030 1012141151 /nfs/dbraw/zinc/14/11/51/1012141151.db2.gz FCJGFPZYVSCNLP-JZXOWHBKSA-N 2 2 362.518 2.885 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C[C@H]1C#N ZINC001172973030 1012141160 /nfs/dbraw/zinc/14/11/60/1012141160.db2.gz FCJGFPZYVSCNLP-JZXOWHBKSA-N 2 2 362.518 2.885 20 30 FFEDLP COC(=O)[C@@H]1C[C@@H](OCC[S+](c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001217823325 1032879327 /nfs/dbraw/zinc/87/93/27/1032879327.db2.gz RRXUBNWRZDCQFY-APWZRJJASA-N 2 2 358.483 2.643 20 30 FFEDLP C[N@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N)CC(C)(C)C ZINC001111028775 1020766764 /nfs/dbraw/zinc/76/67/64/1020766764.db2.gz QFNWTLQIFJKFJW-AQNXPRMDSA-N 2 2 368.525 2.758 20 30 FFEDLP C[N@@H+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N)CC(C)(C)C ZINC001111028775 1020766773 /nfs/dbraw/zinc/76/67/73/1020766773.db2.gz QFNWTLQIFJKFJW-AQNXPRMDSA-N 2 2 368.525 2.758 20 30 FFEDLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)CC(C)(C)C ZINC001111028775 1020766783 /nfs/dbraw/zinc/76/67/83/1020766783.db2.gz QFNWTLQIFJKFJW-AQNXPRMDSA-N 2 2 368.525 2.758 20 30 FFEDLP C[NH+](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)CC(C)(C)C ZINC001111028775 1020766791 /nfs/dbraw/zinc/76/67/91/1020766791.db2.gz QFNWTLQIFJKFJW-AQNXPRMDSA-N 2 2 368.525 2.758 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001098843706 1021228489 /nfs/dbraw/zinc/22/84/89/1021228489.db2.gz KEOJPNJXOMUXAD-LRQRDZAKSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001098843706 1021228495 /nfs/dbraw/zinc/22/84/95/1021228495.db2.gz KEOJPNJXOMUXAD-LRQRDZAKSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001098843706 1021228504 /nfs/dbraw/zinc/22/85/04/1021228504.db2.gz KEOJPNJXOMUXAD-LRQRDZAKSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001098843706 1021228507 /nfs/dbraw/zinc/22/85/07/1021228507.db2.gz KEOJPNJXOMUXAD-LRQRDZAKSA-N 2 2 371.529 2.727 20 30 FFEDLP C[C@H]([NH2+]C1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCOCC1)c1ccccc1 ZINC001120581944 1023370441 /nfs/dbraw/zinc/37/04/41/1023370441.db2.gz OIXORUIGCBFIPV-PKOBYXMFSA-N 2 2 357.498 2.531 20 30 FFEDLP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000948962885 1023424961 /nfs/dbraw/zinc/42/49/61/1023424961.db2.gz SBZATYKNUUOAQX-SFHLNBCPSA-N 2 2 364.493 2.815 20 30 FFEDLP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000948962885 1023424965 /nfs/dbraw/zinc/42/49/65/1023424965.db2.gz SBZATYKNUUOAQX-SFHLNBCPSA-N 2 2 364.493 2.815 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001218696453 1033287224 /nfs/dbraw/zinc/28/72/24/1033287224.db2.gz BZVSXNJEYFDDAS-CEXWTWQISA-N 2 2 362.518 2.716 20 30 FFEDLP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001218696453 1033287229 /nfs/dbraw/zinc/28/72/29/1033287229.db2.gz BZVSXNJEYFDDAS-CEXWTWQISA-N 2 2 362.518 2.716 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001102508693 1026163720 /nfs/dbraw/zinc/16/37/20/1026163720.db2.gz DKZSSXRPEMEBFL-FGTMMUONSA-N 2 2 367.497 2.920 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001102508693 1026163725 /nfs/dbraw/zinc/16/37/25/1026163725.db2.gz DKZSSXRPEMEBFL-FGTMMUONSA-N 2 2 367.497 2.920 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2ccc(C(=O)OC)cc21 ZINC001159921237 1027532269 /nfs/dbraw/zinc/53/22/69/1027532269.db2.gz KOUOLYLZEVPAQB-KRWDZBQOSA-N 2 2 371.437 2.660 20 30 FFEDLP C=CCc1ccnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1C(OC)OC ZINC001164210483 1029202005 /nfs/dbraw/zinc/20/20/05/1029202005.db2.gz DQAGQAVNRQMRTB-UHFFFAOYSA-N 2 2 362.518 2.539 20 30 FFEDLP CC(C)(C)N(c1[nH+]ccc2[nH]cc(C#N)c21)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671193 1030078472 /nfs/dbraw/zinc/07/84/72/1030078472.db2.gz YHCAGSWUVKKAPO-HNNXBMFYSA-N 2 2 353.470 2.951 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cccc(F)c1 ZINC001205448509 1031752494 /nfs/dbraw/zinc/75/24/94/1031752494.db2.gz GWPJREDJWSQCQZ-VQTJNVASSA-N 2 2 370.472 2.652 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1F ZINC001205659348 1031913254 /nfs/dbraw/zinc/91/32/54/1031913254.db2.gz CCVAYDKZTAYHDW-ZAAXVRCTSA-N 2 2 370.472 2.888 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001205659348 1031913267 /nfs/dbraw/zinc/91/32/67/1031913267.db2.gz CCVAYDKZTAYHDW-ZAAXVRCTSA-N 2 2 370.472 2.888 20 30 FFEDLP N#Cc1cccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001139702396 1035202274 /nfs/dbraw/zinc/20/22/74/1035202274.db2.gz CTVBGKLBKOOUAJ-PMACEKPBSA-N 2 2 357.461 2.998 20 30 FFEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229038574 1036469448 /nfs/dbraw/zinc/46/94/48/1036469448.db2.gz WUSPGVREOWTKHN-CDHQVMDDSA-N 2 2 365.481 2.677 20 30 FFEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001229038574 1036469459 /nfs/dbraw/zinc/46/94/59/1036469459.db2.gz WUSPGVREOWTKHN-CDHQVMDDSA-N 2 2 365.481 2.677 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001233385737 1036588470 /nfs/dbraw/zinc/58/84/70/1036588470.db2.gz RWLVNPNLTFBMHI-PZJWPPBQSA-N 2 2 355.482 2.587 20 30 FFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001233385737 1036588473 /nfs/dbraw/zinc/58/84/73/1036588473.db2.gz RWLVNPNLTFBMHI-PZJWPPBQSA-N 2 2 355.482 2.587 20 30 FFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001233385737 1036588474 /nfs/dbraw/zinc/58/84/74/1036588474.db2.gz RWLVNPNLTFBMHI-PZJWPPBQSA-N 2 2 355.482 2.587 20 30 FFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001233385737 1036588478 /nfs/dbraw/zinc/58/84/78/1036588478.db2.gz RWLVNPNLTFBMHI-PZJWPPBQSA-N 2 2 355.482 2.587 20 30 FFEDLP C=CCN(CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C(=O)OCC ZINC001209022752 1038636951 /nfs/dbraw/zinc/63/69/51/1038636951.db2.gz SWEJOMAFWSMQDI-BGYRXZFFSA-N 2 2 357.498 2.695 20 30 FFEDLP C=CCN(CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C(=O)OCC ZINC001209022752 1038636955 /nfs/dbraw/zinc/63/69/55/1038636955.db2.gz SWEJOMAFWSMQDI-BGYRXZFFSA-N 2 2 357.498 2.695 20 30 FFEDLP C=CCN(CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OCC ZINC001209022752 1038636958 /nfs/dbraw/zinc/63/69/58/1038636958.db2.gz SWEJOMAFWSMQDI-BGYRXZFFSA-N 2 2 357.498 2.695 20 30 FFEDLP C=CCN(CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OCC ZINC001209022752 1038636963 /nfs/dbraw/zinc/63/69/63/1038636963.db2.gz SWEJOMAFWSMQDI-BGYRXZFFSA-N 2 2 357.498 2.695 20 30 FFEDLP Cc1cc(-c2noc([C@@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)ccc1C#N ZINC001247129233 1039623683 /nfs/dbraw/zinc/62/36/83/1039623683.db2.gz ZKKPXBRCHRJCHN-INIZCTEOSA-N 2 2 360.421 2.532 20 30 FFEDLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001278749055 1040453201 /nfs/dbraw/zinc/45/32/01/1040453201.db2.gz BTWSGDAVLCJTGC-NRFANRHFSA-N 2 2 358.505 2.937 20 30 FFEDLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001278749055 1040453209 /nfs/dbraw/zinc/45/32/09/1040453209.db2.gz BTWSGDAVLCJTGC-NRFANRHFSA-N 2 2 358.505 2.937 20 30 FFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001215226861 1041706525 /nfs/dbraw/zinc/70/65/25/1041706525.db2.gz UTWUCUPXJAKOTA-AQNXPRMDSA-N 2 2 367.578 2.894 20 30 FFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001215226861 1041706531 /nfs/dbraw/zinc/70/65/31/1041706531.db2.gz UTWUCUPXJAKOTA-AQNXPRMDSA-N 2 2 367.578 2.894 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001264036558 1042588742 /nfs/dbraw/zinc/58/87/42/1042588742.db2.gz AJAKTJJKYIOKMP-HMXCVIKNSA-N 2 2 364.493 2.832 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001264036558 1042588747 /nfs/dbraw/zinc/58/87/47/1042588747.db2.gz AJAKTJJKYIOKMP-HMXCVIKNSA-N 2 2 364.493 2.832 20 30 FFEDLP N#CC1(c2ccccc2-c2ccc(C[NH+]3CCOCC3)nc2)CC[NH2+]CC1 ZINC001239594803 1044139078 /nfs/dbraw/zinc/13/90/78/1044139078.db2.gz XOLMCJWIARXPPS-UHFFFAOYSA-N 2 2 362.477 2.726 20 30 FFEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)[nH+]1 ZINC001319489925 1045170857 /nfs/dbraw/zinc/17/08/57/1045170857.db2.gz MREDOOBXYZHOOG-MOPGFXCFSA-N 2 2 366.465 2.578 20 30 FFEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)[nH+]1 ZINC001319489925 1045170866 /nfs/dbraw/zinc/17/08/66/1045170866.db2.gz MREDOOBXYZHOOG-MOPGFXCFSA-N 2 2 366.465 2.578 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001340390447 1050784060 /nfs/dbraw/zinc/78/40/60/1050784060.db2.gz PUDSERRJUFVMQF-MOPGFXCFSA-N 2 2 372.561 2.933 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001340390447 1050784073 /nfs/dbraw/zinc/78/40/73/1050784073.db2.gz PUDSERRJUFVMQF-MOPGFXCFSA-N 2 2 372.561 2.933 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001343297682 1052145032 /nfs/dbraw/zinc/14/50/32/1052145032.db2.gz DXBXJAUDUFTSOS-UHFFFAOYSA-N 2 2 372.561 2.905 20 30 FFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001338749312 1055782187 /nfs/dbraw/zinc/78/21/87/1055782187.db2.gz MFCXXMCURLLUEX-PKOBYXMFSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001338749312 1055782196 /nfs/dbraw/zinc/78/21/96/1055782196.db2.gz MFCXXMCURLLUEX-PKOBYXMFSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001338749312 1055782208 /nfs/dbraw/zinc/78/22/08/1055782208.db2.gz MFCXXMCURLLUEX-PKOBYXMFSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001338749312 1055782218 /nfs/dbraw/zinc/78/22/18/1055782218.db2.gz MFCXXMCURLLUEX-PKOBYXMFSA-N 2 2 372.561 2.932 20 30 FFEDLP C#CC[N@H+](C)CCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001466434068 1063434772 /nfs/dbraw/zinc/43/47/72/1063434772.db2.gz SEEUMYMYJWUNGD-UHFFFAOYSA-N 2 2 365.481 2.963 20 30 FFEDLP C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC001466434068 1063434783 /nfs/dbraw/zinc/43/47/83/1063434783.db2.gz SEEUMYMYJWUNGD-UHFFFAOYSA-N 2 2 365.481 2.963 20 30 FFEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)C1 ZINC001471832888 1064812695 /nfs/dbraw/zinc/81/26/95/1064812695.db2.gz LCQCPCLXNBMSSY-SFTDATJTSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)C1 ZINC001471832888 1064812702 /nfs/dbraw/zinc/81/27/02/1064812702.db2.gz LCQCPCLXNBMSSY-SFTDATJTSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(C)c2)C1 ZINC001471832888 1064812722 /nfs/dbraw/zinc/81/27/22/1064812722.db2.gz LCQCPCLXNBMSSY-SFTDATJTSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(C)c2)C1 ZINC001471832888 1064812728 /nfs/dbraw/zinc/81/27/28/1064812728.db2.gz LCQCPCLXNBMSSY-SFTDATJTSA-N 2 2 353.510 2.563 20 30 FFEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]([NH3+])CCCCC#N)c(C)c1 ZINC001579667062 1078659377 /nfs/dbraw/zinc/65/93/77/1078659377.db2.gz GOGNKSIDBKJHBS-OALUTQOASA-N 2 2 353.470 2.769 20 30 FFEDLP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccc(F)c(C#N)c1 ZINC001566553482 1076968709 /nfs/dbraw/zinc/96/87/09/1076968709.db2.gz VKGYBPPJDCWKOP-IAGOWNOFSA-N 2 2 369.444 2.552 20 30 FFEDLP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccc(F)c(C#N)c1 ZINC001566553482 1076968716 /nfs/dbraw/zinc/96/87/16/1076968716.db2.gz VKGYBPPJDCWKOP-IAGOWNOFSA-N 2 2 369.444 2.552 20 30 FFEDLP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ccc(F)c(C#N)c1 ZINC001566553482 1076968720 /nfs/dbraw/zinc/96/87/20/1076968720.db2.gz VKGYBPPJDCWKOP-IAGOWNOFSA-N 2 2 369.444 2.552 20 30 FFEDLP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ccc(F)c(C#N)c1 ZINC001566553482 1076968726 /nfs/dbraw/zinc/96/87/26/1076968726.db2.gz VKGYBPPJDCWKOP-IAGOWNOFSA-N 2 2 369.444 2.552 20 30 FFEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000072859789 507865999 /nfs/dbraw/zinc/86/59/99/507865999.db2.gz DELNBYXCAVNZGD-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000072859789 507866000 /nfs/dbraw/zinc/86/60/00/507866000.db2.gz DELNBYXCAVNZGD-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000072859789 507866002 /nfs/dbraw/zinc/86/60/02/507866002.db2.gz DELNBYXCAVNZGD-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000072859789 507866003 /nfs/dbraw/zinc/86/60/03/507866003.db2.gz DELNBYXCAVNZGD-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244428 508081808 /nfs/dbraw/zinc/08/18/08/508081808.db2.gz LSASBCPJCXFYDK-CYBMUJFWSA-N 2 2 369.494 2.969 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)cc1OC ZINC000104178254 508329582 /nfs/dbraw/zinc/32/95/82/508329582.db2.gz HJCSEWZPNCCXMR-UHFFFAOYSA-N 2 2 360.483 2.550 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)cc1OC ZINC000104178254 508329583 /nfs/dbraw/zinc/32/95/83/508329583.db2.gz HJCSEWZPNCCXMR-UHFFFAOYSA-N 2 2 360.483 2.550 20 30 FFEDLP C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000159004931 508779725 /nfs/dbraw/zinc/77/97/25/508779725.db2.gz CQSAUXRWSZIIRE-MJGOQNOKSA-N 2 2 351.454 2.713 20 30 FFEDLP C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000159004931 508779729 /nfs/dbraw/zinc/77/97/29/508779729.db2.gz CQSAUXRWSZIIRE-MJGOQNOKSA-N 2 2 351.454 2.713 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139909724 508797049 /nfs/dbraw/zinc/79/70/49/508797049.db2.gz KXOAJWXUSVVUAV-QWFCFKBJSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139909724 508797052 /nfs/dbraw/zinc/79/70/52/508797052.db2.gz KXOAJWXUSVVUAV-QWFCFKBJSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139909724 508797055 /nfs/dbraw/zinc/79/70/55/508797055.db2.gz KXOAJWXUSVVUAV-QWFCFKBJSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139909724 508797058 /nfs/dbraw/zinc/79/70/58/508797058.db2.gz KXOAJWXUSVVUAV-QWFCFKBJSA-N 2 2 354.498 2.738 20 30 FFEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245438361 509934042 /nfs/dbraw/zinc/93/40/42/509934042.db2.gz SBMVDVWUNWKUSD-RTBURBONSA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245438361 509934047 /nfs/dbraw/zinc/93/40/47/509934047.db2.gz SBMVDVWUNWKUSD-RTBURBONSA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245438361 509934049 /nfs/dbraw/zinc/93/40/49/509934049.db2.gz SBMVDVWUNWKUSD-RTBURBONSA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245438361 509934052 /nfs/dbraw/zinc/93/40/52/509934052.db2.gz SBMVDVWUNWKUSD-RTBURBONSA-N 2 2 356.514 2.985 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000187017919 510007905 /nfs/dbraw/zinc/00/79/05/510007905.db2.gz IARQFNFYBDEZSN-UWVAXJGDSA-N 2 2 372.513 2.612 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000187017919 510007910 /nfs/dbraw/zinc/00/79/10/510007910.db2.gz IARQFNFYBDEZSN-UWVAXJGDSA-N 2 2 372.513 2.612 20 30 FFEDLP C=CCC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000180781924 510105720 /nfs/dbraw/zinc/10/57/20/510105720.db2.gz FBXQQEXHAFEIBG-MOPGFXCFSA-N 2 2 371.529 2.616 20 30 FFEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000262494169 510299555 /nfs/dbraw/zinc/29/95/55/510299555.db2.gz VVEIBWZYWXNNAD-KRWDZBQOSA-N 2 2 367.497 2.793 20 30 FFEDLP C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000187775293 510428134 /nfs/dbraw/zinc/42/81/34/510428134.db2.gz VHGUPNHZFYKCKT-KSSFIOAISA-N 2 2 351.441 2.724 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000181589245 510487101 /nfs/dbraw/zinc/48/71/01/510487101.db2.gz ZDDDMWPAEAGMDK-OAQYLSRUSA-N 2 2 353.441 2.985 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(-n4cncn4)cc3)CC2)cc1 ZINC000181697850 510545927 /nfs/dbraw/zinc/54/59/27/510545927.db2.gz MXBJQKGQLUZMHS-UHFFFAOYSA-N 2 2 372.476 2.893 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@@H](c2ccccc2)C1 ZINC000175469008 510658121 /nfs/dbraw/zinc/65/81/21/510658121.db2.gz KEXOHWXPJJVQNN-LJQANCHMSA-N 2 2 360.465 2.832 20 30 FFEDLP C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247671443 510868372 /nfs/dbraw/zinc/86/83/72/510868372.db2.gz QXBLQGHRBSVULG-SUMWQHHRSA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247671443 510868373 /nfs/dbraw/zinc/86/83/73/510868373.db2.gz QXBLQGHRBSVULG-SUMWQHHRSA-N 2 2 357.845 2.930 20 30 FFEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000330778460 511017505 /nfs/dbraw/zinc/01/75/05/511017505.db2.gz LHBXJQFGDDEHST-FGTMMUONSA-N 2 2 366.550 2.648 20 30 FFEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000330778460 511017510 /nfs/dbraw/zinc/01/75/10/511017510.db2.gz LHBXJQFGDDEHST-FGTMMUONSA-N 2 2 366.550 2.648 20 30 FFEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000330778460 511017517 /nfs/dbraw/zinc/01/75/17/511017517.db2.gz LHBXJQFGDDEHST-FGTMMUONSA-N 2 2 366.550 2.648 20 30 FFEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000330778460 511017523 /nfs/dbraw/zinc/01/75/23/511017523.db2.gz LHBXJQFGDDEHST-FGTMMUONSA-N 2 2 366.550 2.648 20 30 FFEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000364727781 511047398 /nfs/dbraw/zinc/04/73/98/511047398.db2.gz OQXDLSGBHLQPDW-LJQANCHMSA-N 2 2 368.525 2.661 20 30 FFEDLP C[NH+](C)[C@]1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCSC1 ZINC000271867011 511352312 /nfs/dbraw/zinc/35/23/12/511352312.db2.gz LSNFPFKOBJUEAH-FQEVSTJZSA-N 2 2 358.555 2.550 20 30 FFEDLP O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)C1CC[NH+](C2CC2)CC1 ZINC000328707826 511918911 /nfs/dbraw/zinc/91/89/11/511918911.db2.gz QFMFXQVIVSTBPN-UHFFFAOYSA-N 2 2 369.469 2.862 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000274788778 511942908 /nfs/dbraw/zinc/94/29/08/511942908.db2.gz BNDDCGSOYVAUPE-DYESRHJHSA-N 2 2 362.477 2.997 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000274788778 511942913 /nfs/dbraw/zinc/94/29/13/511942913.db2.gz BNDDCGSOYVAUPE-DYESRHJHSA-N 2 2 362.477 2.997 20 30 FFEDLP Cc1ccc([C@H](C)[C@H](O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000329029826 511970693 /nfs/dbraw/zinc/97/06/93/511970693.db2.gz PGDUUEGENMYMET-UWJYYQICSA-N 2 2 373.541 2.975 20 30 FFEDLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329131623 511989527 /nfs/dbraw/zinc/98/95/27/511989527.db2.gz XXCLLMVDZFFZFB-UONOGXRCSA-N 2 2 351.520 2.699 20 30 FFEDLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329131623 511989531 /nfs/dbraw/zinc/98/95/31/511989531.db2.gz XXCLLMVDZFFZFB-UONOGXRCSA-N 2 2 351.520 2.699 20 30 FFEDLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000329612147 512077538 /nfs/dbraw/zinc/07/75/38/512077538.db2.gz ROADPIJRLRCWCU-AWEZNQCLSA-N 2 2 367.453 2.778 20 30 FFEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C1 ZINC000378358112 512713898 /nfs/dbraw/zinc/71/38/98/512713898.db2.gz YFGAGEGGMNHCNU-FQEVSTJZSA-N 2 2 356.514 2.581 20 30 FFEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C1 ZINC000378358112 512713903 /nfs/dbraw/zinc/71/39/03/512713903.db2.gz YFGAGEGGMNHCNU-FQEVSTJZSA-N 2 2 356.514 2.581 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(C)C ZINC000370219525 512827001 /nfs/dbraw/zinc/82/70/01/512827001.db2.gz MHRFFLNKMKEUEO-IBGZPJMESA-N 2 2 359.518 2.997 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(C)C ZINC000370219525 512827004 /nfs/dbraw/zinc/82/70/04/512827004.db2.gz MHRFFLNKMKEUEO-IBGZPJMESA-N 2 2 359.518 2.997 20 30 FFEDLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1C#N ZINC000390888219 512913215 /nfs/dbraw/zinc/91/32/15/512913215.db2.gz ZNVBZSIELLTWEV-NRFANRHFSA-N 2 2 365.477 2.948 20 30 FFEDLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000439593902 513146483 /nfs/dbraw/zinc/14/64/83/513146483.db2.gz HSYJSPFUMDNSRN-QRQLOZEOSA-N 2 2 368.506 2.819 20 30 FFEDLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000439593902 513146491 /nfs/dbraw/zinc/14/64/91/513146491.db2.gz HSYJSPFUMDNSRN-QRQLOZEOSA-N 2 2 368.506 2.819 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC000421367747 513237511 /nfs/dbraw/zinc/23/75/11/513237511.db2.gz UEGQWPQRBTZEGX-PZJWPPBQSA-N 2 2 353.441 2.670 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1F ZINC000421367747 513237513 /nfs/dbraw/zinc/23/75/13/513237513.db2.gz UEGQWPQRBTZEGX-PZJWPPBQSA-N 2 2 353.441 2.670 20 30 FFEDLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424179857 514407478 /nfs/dbraw/zinc/40/74/78/514407478.db2.gz ZTYYKUXHTZGRON-ULQDDVLXSA-N 2 2 366.868 2.752 20 30 FFEDLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424179857 514407483 /nfs/dbraw/zinc/40/74/83/514407483.db2.gz ZTYYKUXHTZGRON-ULQDDVLXSA-N 2 2 366.868 2.752 20 30 FFEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000489514868 514878408 /nfs/dbraw/zinc/87/84/08/514878408.db2.gz RAWUJUQTKSJNID-SFHVURJKSA-N 2 2 371.529 2.598 20 30 FFEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000489514868 514878418 /nfs/dbraw/zinc/87/84/18/514878418.db2.gz RAWUJUQTKSJNID-SFHVURJKSA-N 2 2 371.529 2.598 20 30 FFEDLP CN(CCC#N)C(=O)CC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000503183653 514947234 /nfs/dbraw/zinc/94/72/34/514947234.db2.gz UFTUIRIHTLCQAA-FQEVSTJZSA-N 2 2 370.541 2.811 20 30 FFEDLP CN(CCC#N)C(=O)CC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000503183653 514947239 /nfs/dbraw/zinc/94/72/39/514947239.db2.gz UFTUIRIHTLCQAA-FQEVSTJZSA-N 2 2 370.541 2.811 20 30 FFEDLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000512011684 516116545 /nfs/dbraw/zinc/11/65/45/516116545.db2.gz ZVZBBEQXGRCBSE-OAHLLOKOSA-N 2 2 373.501 2.974 20 30 FFEDLP C=CCc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc(OC)c1O ZINC000517588837 516377433 /nfs/dbraw/zinc/37/74/33/516377433.db2.gz TUJDOTWIIAAUPE-IBGZPJMESA-N 2 2 360.498 2.816 20 30 FFEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000558013655 516550126 /nfs/dbraw/zinc/55/01/26/516550126.db2.gz UVLMDVJWHSQYFV-IIBYNOLFSA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000558013655 516550132 /nfs/dbraw/zinc/55/01/32/516550132.db2.gz UVLMDVJWHSQYFV-IIBYNOLFSA-N 2 2 353.441 2.985 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000533866348 517648501 /nfs/dbraw/zinc/64/85/01/517648501.db2.gz ATHZPLKPTAIPQW-GOSISDBHSA-N 2 2 365.481 2.773 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000533866348 517648507 /nfs/dbraw/zinc/64/85/07/517648507.db2.gz ATHZPLKPTAIPQW-GOSISDBHSA-N 2 2 365.481 2.773 20 30 FFEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000542878995 517794858 /nfs/dbraw/zinc/79/48/58/517794858.db2.gz DLKUMNLOPXDOMZ-VBKZILBWSA-N 2 2 359.433 2.930 20 30 FFEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2=O)cc1 ZINC000557260168 517940708 /nfs/dbraw/zinc/94/07/08/517940708.db2.gz YFTFDZRVQMJPNC-FQEVSTJZSA-N 2 2 352.482 2.660 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000530902312 518042565 /nfs/dbraw/zinc/04/25/65/518042565.db2.gz CKGVQZOHCPBLCF-HKUYNNGSSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000530902312 518042573 /nfs/dbraw/zinc/04/25/73/518042573.db2.gz CKGVQZOHCPBLCF-HKUYNNGSSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000530902312 518042581 /nfs/dbraw/zinc/04/25/81/518042581.db2.gz CKGVQZOHCPBLCF-HKUYNNGSSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000530902312 518042585 /nfs/dbraw/zinc/04/25/85/518042585.db2.gz CKGVQZOHCPBLCF-HKUYNNGSSA-N 2 2 372.513 2.746 20 30 FFEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000576181972 518467185 /nfs/dbraw/zinc/46/71/85/518467185.db2.gz NAAYUCWJDYXQQB-GOSISDBHSA-N 2 2 364.449 2.636 20 30 FFEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(C#N)cs1 ZINC000581856026 518469531 /nfs/dbraw/zinc/46/95/31/518469531.db2.gz YEKNNYZSWAWJOL-UHFFFAOYSA-N 3 2 361.559 2.643 20 30 FFEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(C#N)cs1 ZINC000581856026 518469537 /nfs/dbraw/zinc/46/95/37/518469537.db2.gz YEKNNYZSWAWJOL-UHFFFAOYSA-N 3 2 361.559 2.643 20 30 FFEDLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nc(C#N)cs1 ZINC000581856026 518469543 /nfs/dbraw/zinc/46/95/43/518469543.db2.gz YEKNNYZSWAWJOL-UHFFFAOYSA-N 2 2 361.559 2.643 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000564697035 518567629 /nfs/dbraw/zinc/56/76/29/518567629.db2.gz IKVZEJCBBLEDGT-HNNXBMFYSA-N 2 2 365.481 2.933 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000586788441 518642912 /nfs/dbraw/zinc/64/29/12/518642912.db2.gz WJAOAPVXUMCVPX-KRWDZBQOSA-N 2 2 360.502 2.764 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000586788441 518642917 /nfs/dbraw/zinc/64/29/17/518642917.db2.gz WJAOAPVXUMCVPX-KRWDZBQOSA-N 2 2 360.502 2.764 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000586788441 518642922 /nfs/dbraw/zinc/64/29/22/518642922.db2.gz WJAOAPVXUMCVPX-KRWDZBQOSA-N 2 2 360.502 2.764 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000586788441 518642923 /nfs/dbraw/zinc/64/29/23/518642923.db2.gz WJAOAPVXUMCVPX-KRWDZBQOSA-N 2 2 360.502 2.764 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000580062201 518987552 /nfs/dbraw/zinc/98/75/52/518987552.db2.gz MNQYGNSLEPWHTR-UHFFFAOYSA-N 2 2 368.525 2.509 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000580062201 518987555 /nfs/dbraw/zinc/98/75/55/518987555.db2.gz MNQYGNSLEPWHTR-UHFFFAOYSA-N 2 2 368.525 2.509 20 30 FFEDLP N#C[C@H]1CC[C@@H]([NH2+]CC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)C1 ZINC000574998478 519444601 /nfs/dbraw/zinc/44/46/01/519444601.db2.gz PJVOKKDXXJQTSH-VQTJNVASSA-N 2 2 368.525 2.640 20 30 FFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000594965196 520232751 /nfs/dbraw/zinc/23/27/51/520232751.db2.gz RMLJAWXGOHUDCL-GOSISDBHSA-N 2 2 352.486 2.821 20 30 FFEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000594965196 520232755 /nfs/dbraw/zinc/23/27/55/520232755.db2.gz RMLJAWXGOHUDCL-GOSISDBHSA-N 2 2 352.486 2.821 20 30 FFEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C#N)cc1Br)CCO2 ZINC000592184734 520252359 /nfs/dbraw/zinc/25/23/59/520252359.db2.gz OFNWJFWUJURGAS-UHFFFAOYSA-N 2 2 364.287 2.617 20 30 FFEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C#N)cc1Br)CCO2 ZINC000592184734 520252368 /nfs/dbraw/zinc/25/23/68/520252368.db2.gz OFNWJFWUJURGAS-UHFFFAOYSA-N 2 2 364.287 2.617 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1 ZINC000603432428 520262168 /nfs/dbraw/zinc/26/21/68/520262168.db2.gz MQTOULZZWXUAQM-UHFFFAOYSA-N 2 2 361.449 2.894 20 30 FFEDLP Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c(C#N)c(N[C@H](C)Cn2cc[nH+]c2)[nH+]1 ZINC000596079324 520899687 /nfs/dbraw/zinc/89/96/87/520899687.db2.gz OGEMRWXWXYFBIH-JKSUJKDBSA-N 3 2 364.457 2.656 20 30 FFEDLP Cn1nnc2cc(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)ccc21 ZINC000593693137 521160123 /nfs/dbraw/zinc/16/01/23/521160123.db2.gz QFQFJIQNWNKGFE-UHFFFAOYSA-N 2 2 360.465 2.594 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000593967969 521319556 /nfs/dbraw/zinc/31/95/56/521319556.db2.gz DCTUDRFWEUGUJK-OAHLLOKOSA-N 2 2 371.872 2.810 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000593967969 521319566 /nfs/dbraw/zinc/31/95/66/521319566.db2.gz DCTUDRFWEUGUJK-OAHLLOKOSA-N 2 2 371.872 2.810 20 30 FFEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001104865748 971038873 /nfs/dbraw/zinc/03/88/73/971038873.db2.gz XECPNSWWMDJFLU-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C#N)cc3)CC2)cc1 ZINC000121572945 965116407 /nfs/dbraw/zinc/11/64/07/965116407.db2.gz KTBJQUWUCIFPLR-UHFFFAOYSA-N 2 2 364.493 2.869 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734012 967151447 /nfs/dbraw/zinc/15/14/47/967151447.db2.gz ITWNKZPZDUZFHC-VQTJNVASSA-N 2 2 352.482 2.824 20 30 FFEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1ccccc1 ZINC001211632467 969059847 /nfs/dbraw/zinc/05/98/47/969059847.db2.gz DKVSFWZEXYQMEP-RBUKOAKNSA-N 2 2 358.445 2.555 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088822713 977181999 /nfs/dbraw/zinc/18/19/99/977181999.db2.gz DXUQSLYCTNFZAZ-BEFAXECRSA-N 2 2 366.465 2.606 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088822713 977182006 /nfs/dbraw/zinc/18/20/06/977182006.db2.gz DXUQSLYCTNFZAZ-BEFAXECRSA-N 2 2 366.465 2.606 20 30 FFEDLP CN(C(=O)c1coc(C#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866957787 980657561 /nfs/dbraw/zinc/65/75/61/980657561.db2.gz OBEAWFFTSBSOHA-RTBURBONSA-N 2 2 358.486 2.560 20 30 FFEDLP CN(C(=O)c1coc(C#N)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866957787 980657564 /nfs/dbraw/zinc/65/75/64/980657564.db2.gz OBEAWFFTSBSOHA-RTBURBONSA-N 2 2 358.486 2.560 20 30 FFEDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)cc1 ZINC000185761128 984018119 /nfs/dbraw/zinc/01/81/19/984018119.db2.gz NDYHPTWPEWNYLV-RBUKOAKNSA-N 2 2 356.514 2.879 20 30 FFEDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000185761185 984018472 /nfs/dbraw/zinc/01/84/72/984018472.db2.gz NDYHPTWPEWNYLV-MOPGFXCFSA-N 2 2 356.514 2.879 20 30 FFEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1(C)C ZINC000995831896 984143104 /nfs/dbraw/zinc/14/31/04/984143104.db2.gz MCPYPXJJTBZADH-KURKYZTESA-N 2 2 356.514 2.557 20 30 FFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106678063 988625897 /nfs/dbraw/zinc/62/58/97/988625897.db2.gz VXDJUDZOSDJTIP-NCXUSEDFSA-N 2 2 358.530 2.954 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1ccccc1F ZINC001079297935 991985420 /nfs/dbraw/zinc/98/54/20/991985420.db2.gz TVGIPSCWULJUMC-PKOBYXMFSA-N 2 2 356.445 2.642 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001079297935 991985429 /nfs/dbraw/zinc/98/54/29/991985429.db2.gz TVGIPSCWULJUMC-PKOBYXMFSA-N 2 2 356.445 2.642 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001079318589 991994221 /nfs/dbraw/zinc/99/42/21/991994221.db2.gz NBBQUPMABHZSHN-DOTOQJQBSA-N 2 2 356.445 2.597 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052162 992678168 /nfs/dbraw/zinc/67/81/68/992678168.db2.gz BKVCFQBBIKHJPH-FZKQIMNGSA-N 2 2 365.462 2.518 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001080052162 992678171 /nfs/dbraw/zinc/67/81/71/992678171.db2.gz BKVCFQBBIKHJPH-FZKQIMNGSA-N 2 2 365.462 2.518 20 30 FFEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252995 1015790452 /nfs/dbraw/zinc/79/04/52/1015790452.db2.gz UDADCHAWJRNKNV-UHFFFAOYSA-N 2 2 368.525 2.794 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1ccccc1 ZINC001081135262 993693466 /nfs/dbraw/zinc/69/34/66/993693466.db2.gz NLQYFGCIRMLGMT-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP CC(=O)c1ccccc1OCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747839021 995619832 /nfs/dbraw/zinc/61/98/32/995619832.db2.gz WIXOQWHYXMVXBL-UHFFFAOYSA-N 2 2 355.438 2.667 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001171074669 997243087 /nfs/dbraw/zinc/24/30/87/997243087.db2.gz FSOUPHVRKUENDJ-KRWDZBQOSA-N 2 2 355.429 2.665 20 30 FFEDLP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1 ZINC000826761403 999414574 /nfs/dbraw/zinc/41/45/74/999414574.db2.gz CIIDTUKTRSRAAI-PMACEKPBSA-N 2 2 372.538 2.711 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453336 999992753 /nfs/dbraw/zinc/99/27/53/999992753.db2.gz HTAWHRYBEPMBEB-GOEBONIOSA-N 2 2 372.432 2.826 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453336 999992755 /nfs/dbraw/zinc/99/27/55/999992755.db2.gz HTAWHRYBEPMBEB-GOEBONIOSA-N 2 2 372.432 2.826 20 30 FFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(F)c([N+](=O)[O-])c3)cc2)CC1 ZINC000769821672 1000600442 /nfs/dbraw/zinc/60/04/42/1000600442.db2.gz ANMWBLAHIZAVAE-UHFFFAOYSA-N 2 2 357.389 2.932 20 30 FFEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn3cccc(C)c3[nH+]1)C2 ZINC001112545583 1001447515 /nfs/dbraw/zinc/44/75/15/1001447515.db2.gz RCLLOOYRNPFFGA-UWJYYQICSA-N 2 2 352.482 2.590 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092069032 1002364814 /nfs/dbraw/zinc/36/48/14/1002364814.db2.gz FLTISQHNXSBUJF-APWZRJJASA-N 2 2 364.921 2.929 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092069032 1002364828 /nfs/dbraw/zinc/36/48/28/1002364828.db2.gz FLTISQHNXSBUJF-APWZRJJASA-N 2 2 364.921 2.929 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C)c(C)c1 ZINC001095556389 1016753450 /nfs/dbraw/zinc/75/34/50/1016753450.db2.gz PCBSPEUTSGRXBN-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C)c(C)c1 ZINC001095556389 1016753455 /nfs/dbraw/zinc/75/34/55/1016753455.db2.gz PCBSPEUTSGRXBN-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C)c(C)c1 ZINC001095556389 1016753459 /nfs/dbraw/zinc/75/34/59/1016753459.db2.gz PCBSPEUTSGRXBN-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C)c(C)c1 ZINC001095556389 1016753461 /nfs/dbraw/zinc/75/34/61/1016753461.db2.gz PCBSPEUTSGRXBN-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C=CC[C@@H](NC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC001199358422 1004917961 /nfs/dbraw/zinc/91/79/61/1004917961.db2.gz CVWUXAYDEPSSKZ-LJQANCHMSA-N 2 2 350.466 2.881 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccc(OC)cc1 ZINC001489370727 1005465886 /nfs/dbraw/zinc/46/58/86/1005465886.db2.gz YZBXTLJMKSAZLB-VQTJNVASSA-N 2 2 368.481 2.511 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795719 1005862987 /nfs/dbraw/zinc/86/29/87/1005862987.db2.gz YSZCARHRMZYHQX-QGZVFWFLSA-N 2 2 372.432 2.757 20 30 FFEDLP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)CC1 ZINC001050518500 1017037553 /nfs/dbraw/zinc/03/75/53/1017037553.db2.gz FIQFABXRVUDDAK-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188375395 1006536439 /nfs/dbraw/zinc/53/64/39/1006536439.db2.gz GWSFBEDFLJQMEC-GBESFXJTSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188375395 1006536448 /nfs/dbraw/zinc/53/64/48/1006536448.db2.gz GWSFBEDFLJQMEC-GBESFXJTSA-N 2 2 356.514 2.725 20 30 FFEDLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001110715392 1008011660 /nfs/dbraw/zinc/01/16/60/1008011660.db2.gz XBJJEJUACDWNNN-WTGUMLROSA-N 2 2 373.928 2.753 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102823 1009837118 /nfs/dbraw/zinc/83/71/18/1009837118.db2.gz OLPBUBXFOSRMIN-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001093102823 1009837137 /nfs/dbraw/zinc/83/71/37/1009837137.db2.gz OLPBUBXFOSRMIN-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1)n1cc[nH+]c1 ZINC001094078584 1010838039 /nfs/dbraw/zinc/83/80/39/1010838039.db2.gz CJXHXMWCGTUBKQ-FUHIMQAGSA-N 2 2 365.481 2.590 20 30 FFEDLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866255971 1010962881 /nfs/dbraw/zinc/96/28/81/1010962881.db2.gz HXPGDKGHUCQFTC-UTKZUKDTSA-N 2 2 364.493 2.903 20 30 FFEDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C#N)c1O ZINC000866323456 1010976860 /nfs/dbraw/zinc/97/68/60/1010976860.db2.gz IOAPXTQBJNOEGX-PBHICJAKSA-N 2 2 351.454 2.972 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC001094551807 1011276148 /nfs/dbraw/zinc/27/61/48/1011276148.db2.gz OTCUVPUIKJEMMU-TZIWHRDSSA-N 2 2 365.481 2.818 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)CCC[C@@H]12 ZINC001094551807 1011276162 /nfs/dbraw/zinc/27/61/62/1011276162.db2.gz OTCUVPUIKJEMMU-TZIWHRDSSA-N 2 2 365.481 2.818 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C[C@H]1C#N ZINC001172974714 1012143424 /nfs/dbraw/zinc/14/34/24/1012143424.db2.gz RVPBVJUXELEGPB-SQNIBIBYSA-N 2 2 362.518 2.742 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C[C@H]1C#N ZINC001172974714 1012143434 /nfs/dbraw/zinc/14/34/34/1012143434.db2.gz RVPBVJUXELEGPB-SQNIBIBYSA-N 2 2 362.518 2.742 20 30 FFEDLP N#CCC1CCC([N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001173335282 1012451319 /nfs/dbraw/zinc/45/13/19/1012451319.db2.gz HIBRZPFKXMCHEV-UHFFFAOYSA-N 2 2 356.518 2.595 20 30 FFEDLP N#CCC1CCC([N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001173335282 1012451328 /nfs/dbraw/zinc/45/13/28/1012451328.db2.gz HIBRZPFKXMCHEV-UHFFFAOYSA-N 2 2 356.518 2.595 20 30 FFEDLP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cccc2C1 ZINC001051299221 1017275535 /nfs/dbraw/zinc/27/55/35/1017275535.db2.gz ZOHRBSDACCRVEO-WOJBJXKFSA-N 2 2 364.493 2.774 20 30 FFEDLP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cccc2C1 ZINC001051299221 1017275544 /nfs/dbraw/zinc/27/55/44/1017275544.db2.gz ZOHRBSDACCRVEO-WOJBJXKFSA-N 2 2 364.493 2.774 20 30 FFEDLP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040403029 1022841528 /nfs/dbraw/zinc/84/15/28/1022841528.db2.gz OBDXSMDPNGPZGZ-OPYAIIAOSA-N 2 2 356.514 2.804 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040403029 1022841541 /nfs/dbraw/zinc/84/15/41/1022841541.db2.gz OBDXSMDPNGPZGZ-OPYAIIAOSA-N 2 2 356.514 2.804 20 30 FFEDLP C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001119772023 1022990283 /nfs/dbraw/zinc/99/02/83/1022990283.db2.gz UHYXDYHDEQKRJF-SFHVURJKSA-N 2 2 350.466 2.685 20 30 FFEDLP C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001119772023 1022990295 /nfs/dbraw/zinc/99/02/95/1022990295.db2.gz UHYXDYHDEQKRJF-SFHVURJKSA-N 2 2 350.466 2.685 20 30 FFEDLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413566 1025929129 /nfs/dbraw/zinc/92/91/29/1025929129.db2.gz LXDJIIWUPSTWJT-MBOZVWFJSA-N 2 2 365.481 2.590 20 30 FFEDLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413566 1025929141 /nfs/dbraw/zinc/92/91/41/1025929141.db2.gz LXDJIIWUPSTWJT-MBOZVWFJSA-N 2 2 365.481 2.590 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001102466942 1026016840 /nfs/dbraw/zinc/01/68/40/1026016840.db2.gz ZSTDTXBBUDPGJK-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001102466942 1026016860 /nfs/dbraw/zinc/01/68/60/1026016860.db2.gz ZSTDTXBBUDPGJK-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP C#C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000838595145 1026427951 /nfs/dbraw/zinc/42/79/51/1026427951.db2.gz GSTCBEVSNFVWDI-ZCNNSNEGSA-N 2 2 362.562 2.623 20 30 FFEDLP C#C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000838595145 1026427953 /nfs/dbraw/zinc/42/79/53/1026427953.db2.gz GSTCBEVSNFVWDI-ZCNNSNEGSA-N 2 2 362.562 2.623 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102925184 1026790370 /nfs/dbraw/zinc/79/03/70/1026790370.db2.gz MDIIBVLRXKKPFJ-HUUCEWRRSA-N 2 2 371.510 2.550 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001102925184 1026790381 /nfs/dbraw/zinc/79/03/81/1026790381.db2.gz MDIIBVLRXKKPFJ-HUUCEWRRSA-N 2 2 371.510 2.550 20 30 FFEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001162832391 1028674531 /nfs/dbraw/zinc/67/45/31/1028674531.db2.gz QYCLAHBJOUQINI-RTBURBONSA-N 2 2 352.482 2.750 20 30 FFEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001162832391 1028674534 /nfs/dbraw/zinc/67/45/34/1028674534.db2.gz QYCLAHBJOUQINI-RTBURBONSA-N 2 2 352.482 2.750 20 30 FFEDLP N#Cc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc2ccc(Cl)cc12 ZINC001158269745 1029781744 /nfs/dbraw/zinc/78/17/44/1029781744.db2.gz RIHPMTREWCXNPO-HNNXBMFYSA-N 2 2 355.873 2.762 20 30 FFEDLP N#Cc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc2ccc(Cl)cc12 ZINC001158269745 1029781749 /nfs/dbraw/zinc/78/17/49/1029781749.db2.gz RIHPMTREWCXNPO-HNNXBMFYSA-N 2 2 355.873 2.762 20 30 FFEDLP C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232147321 1038198395 /nfs/dbraw/zinc/19/83/95/1038198395.db2.gz FUOIFVITLKIOTJ-UHFFFAOYSA-N 2 2 372.488 2.882 20 30 FFEDLP C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232147321 1038198397 /nfs/dbraw/zinc/19/83/97/1038198397.db2.gz FUOIFVITLKIOTJ-UHFFFAOYSA-N 2 2 372.488 2.882 20 30 FFEDLP N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246129131 1039251384 /nfs/dbraw/zinc/25/13/84/1039251384.db2.gz SNACFIIQSCXQJY-NYLDSWQDSA-N 3 2 370.516 2.993 20 30 FFEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001252473092 1039548297 /nfs/dbraw/zinc/54/82/97/1039548297.db2.gz GOTFJTKJGIXCMF-LJQANCHMSA-N 2 2 352.906 2.800 20 30 FFEDLP C=CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001252473092 1039548314 /nfs/dbraw/zinc/54/83/14/1039548314.db2.gz GOTFJTKJGIXCMF-LJQANCHMSA-N 2 2 352.906 2.800 20 30 FFEDLP C=CCC[C@H](O)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252598437 1039609667 /nfs/dbraw/zinc/60/96/67/1039609667.db2.gz NXDSHMWOYCWKBU-OALUTQOASA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@H](O)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252598437 1039609673 /nfs/dbraw/zinc/60/96/73/1039609673.db2.gz NXDSHMWOYCWKBU-OALUTQOASA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001252598437 1039609679 /nfs/dbraw/zinc/60/96/79/1039609679.db2.gz NXDSHMWOYCWKBU-OALUTQOASA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@H](O)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001252598437 1039609683 /nfs/dbraw/zinc/60/96/83/1039609683.db2.gz NXDSHMWOYCWKBU-OALUTQOASA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001262948834 1041983186 /nfs/dbraw/zinc/98/31/86/1041983186.db2.gz ZEYNTRLYRQCFAX-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001262948834 1041983190 /nfs/dbraw/zinc/98/31/90/1041983190.db2.gz ZEYNTRLYRQCFAX-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001262948834 1041983194 /nfs/dbraw/zinc/98/31/94/1041983194.db2.gz ZEYNTRLYRQCFAX-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001262948834 1041983199 /nfs/dbraw/zinc/98/31/99/1041983199.db2.gz ZEYNTRLYRQCFAX-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001539432324 1070636548 /nfs/dbraw/zinc/63/65/48/1070636548.db2.gz ZXUQNGSFNVYGCP-RBUKOAKNSA-N 2 2 374.577 2.523 20 30 FFEDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C#N)ccc3F)cc2F)CC1 ZINC001332274663 1048330252 /nfs/dbraw/zinc/33/02/52/1048330252.db2.gz SBAFLUORSTWJNU-UHFFFAOYSA-N 2 2 356.420 2.878 20 30 FFEDLP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1)n1cc[nH+]c1 ZINC001316663582 1050299023 /nfs/dbraw/zinc/29/90/23/1050299023.db2.gz YDFQHVQIQHYTEY-LSTHTHJFSA-N 2 2 365.481 2.781 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001342300043 1050896144 /nfs/dbraw/zinc/89/61/44/1050896144.db2.gz STZLRCYQSNRFAA-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001342300043 1050896155 /nfs/dbraw/zinc/89/61/55/1050896155.db2.gz STZLRCYQSNRFAA-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001342300043 1050896166 /nfs/dbraw/zinc/89/61/66/1050896166.db2.gz STZLRCYQSNRFAA-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001342300043 1050896179 /nfs/dbraw/zinc/89/61/79/1050896179.db2.gz STZLRCYQSNRFAA-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001338749310 1055781875 /nfs/dbraw/zinc/78/18/75/1055781875.db2.gz MFCXXMCURLLUEX-IEBWSBKVSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001338749310 1055781887 /nfs/dbraw/zinc/78/18/87/1055781887.db2.gz MFCXXMCURLLUEX-IEBWSBKVSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001338749310 1055781896 /nfs/dbraw/zinc/78/18/96/1055781896.db2.gz MFCXXMCURLLUEX-IEBWSBKVSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001338749310 1055781907 /nfs/dbraw/zinc/78/19/07/1055781907.db2.gz MFCXXMCURLLUEX-IEBWSBKVSA-N 2 2 372.561 2.932 20 30 FFEDLP C#CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC001460816883 1061112087 /nfs/dbraw/zinc/11/20/87/1061112087.db2.gz NXOPHILAYKTWCE-IBGZPJMESA-N 2 2 361.917 2.937 20 30 FFEDLP C#CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC001460816883 1061112094 /nfs/dbraw/zinc/11/20/94/1061112094.db2.gz NXOPHILAYKTWCE-IBGZPJMESA-N 2 2 361.917 2.937 20 30 FFEDLP C[NH+]1CCC(CNc2ccc(C#N)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000078457566 507872791 /nfs/dbraw/zinc/87/27/91/507872791.db2.gz FFPPGAIVGCBCFL-UHFFFAOYSA-N 2 2 357.458 2.829 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(OC)c1 ZINC000109796879 507988142 /nfs/dbraw/zinc/98/81/42/507988142.db2.gz KHRBLFTUQWCCTP-IBGZPJMESA-N 2 2 371.481 2.697 20 30 FFEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017868 508114594 /nfs/dbraw/zinc/11/45/94/508114594.db2.gz QGIKFPOFUXWEGV-HXUWFJFHSA-N 2 2 356.514 2.581 20 30 FFEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000093017868 508114597 /nfs/dbraw/zinc/11/45/97/508114597.db2.gz QGIKFPOFUXWEGV-HXUWFJFHSA-N 2 2 356.514 2.581 20 30 FFEDLP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)[NH+](C)C)c1 ZINC000104155450 508329459 /nfs/dbraw/zinc/32/94/59/508329459.db2.gz WQRHHKYSNXQQLH-QGZVFWFLSA-N 2 2 372.469 2.742 20 30 FFEDLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115595864 508415542 /nfs/dbraw/zinc/41/55/42/508415542.db2.gz DQNCKZOASALGBE-HXUWFJFHSA-N 2 2 350.466 2.716 20 30 FFEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156410723 508416354 /nfs/dbraw/zinc/41/63/54/508416354.db2.gz BJBVFRROGDJMMN-DYVFJYSZSA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156410723 508416359 /nfs/dbraw/zinc/41/63/59/508416359.db2.gz BJBVFRROGDJMMN-DYVFJYSZSA-N 2 2 357.845 2.930 20 30 FFEDLP CC(C)(C#N)CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000157871340 508624856 /nfs/dbraw/zinc/62/48/56/508624856.db2.gz ZOFHMWIGTJXEHB-IBGZPJMESA-N 2 2 355.530 2.855 20 30 FFEDLP CC(C)(C#N)CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000157871340 508624861 /nfs/dbraw/zinc/62/48/61/508624861.db2.gz ZOFHMWIGTJXEHB-IBGZPJMESA-N 2 2 355.530 2.855 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000123817749 508742434 /nfs/dbraw/zinc/74/24/34/508742434.db2.gz NANZWYBPXOFBFP-QGZVFWFLSA-N 2 2 351.454 2.575 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000123817749 508742438 /nfs/dbraw/zinc/74/24/38/508742438.db2.gz NANZWYBPXOFBFP-QGZVFWFLSA-N 2 2 351.454 2.575 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(OC)c(OC)c2)[NH+](C)C)cc1 ZINC000264119728 509339020 /nfs/dbraw/zinc/33/90/20/509339020.db2.gz QPPABJHMZCWBGF-KRWDZBQOSA-N 2 2 372.469 2.742 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177058605 509845635 /nfs/dbraw/zinc/84/56/35/509845635.db2.gz AYGOYJYQVVGZNF-JKSUJKDBSA-N 2 2 369.494 2.821 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177058605 509845641 /nfs/dbraw/zinc/84/56/41/509845641.db2.gz AYGOYJYQVVGZNF-JKSUJKDBSA-N 2 2 369.494 2.821 20 30 FFEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000245513430 509978704 /nfs/dbraw/zinc/97/87/04/509978704.db2.gz AJUJZSJAIWRJSZ-FPOVZHCZSA-N 2 2 366.509 2.861 20 30 FFEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000245513430 509978710 /nfs/dbraw/zinc/97/87/10/509978710.db2.gz AJUJZSJAIWRJSZ-FPOVZHCZSA-N 2 2 366.509 2.861 20 30 FFEDLP C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245516750 509979801 /nfs/dbraw/zinc/97/98/01/509979801.db2.gz GEEFCOVHWGMFOQ-NSISKUIASA-N 2 2 363.465 2.833 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000245721980 510106801 /nfs/dbraw/zinc/10/68/01/510106801.db2.gz UVZCYTFGEADCNA-JDFRZJQESA-N 2 2 355.442 2.875 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000245721980 510106811 /nfs/dbraw/zinc/10/68/11/510106811.db2.gz UVZCYTFGEADCNA-JDFRZJQESA-N 2 2 355.442 2.875 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1Cl ZINC000171389281 510126014 /nfs/dbraw/zinc/12/60/14/510126014.db2.gz PCKKTWSZTWKGNH-UHFFFAOYSA-N 2 2 360.889 2.958 20 30 FFEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261957082 510129256 /nfs/dbraw/zinc/12/92/56/510129256.db2.gz JBMJNJILUFGJLH-QGZVFWFLSA-N 2 2 353.470 2.885 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139382 510315528 /nfs/dbraw/zinc/31/55/28/510315528.db2.gz DAIMWGRMFRCEHD-JMDAGXMHSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139382 510315531 /nfs/dbraw/zinc/31/55/31/510315531.db2.gz DAIMWGRMFRCEHD-JMDAGXMHSA-N 2 2 360.546 2.723 20 30 FFEDLP NC(=[NH+]OC/C(Cl)=C\Cl)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000177946065 510340996 /nfs/dbraw/zinc/34/09/96/510340996.db2.gz VRUKOKYTTUDTCS-UKTHLTGXSA-N 2 2 358.269 2.599 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000181441937 510410995 /nfs/dbraw/zinc/41/09/95/510410995.db2.gz UIPVCMSHMGAMSR-OAQYLSRUSA-N 2 2 353.441 2.985 20 30 FFEDLP CNC(=O)c1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181584541 510485241 /nfs/dbraw/zinc/48/52/41/510485241.db2.gz QSLSTFDSWXYKBZ-UHFFFAOYSA-N 2 2 362.477 2.672 20 30 FFEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000175176743 510518156 /nfs/dbraw/zinc/51/81/56/510518156.db2.gz LFVSUDZLMPFLFP-UHFFFAOYSA-N 2 2 357.502 2.635 20 30 FFEDLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246542685 510545407 /nfs/dbraw/zinc/54/54/07/510545407.db2.gz JYTUHCBLSJSLFL-PKOBYXMFSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246542685 510545414 /nfs/dbraw/zinc/54/54/14/510545414.db2.gz JYTUHCBLSJSLFL-PKOBYXMFSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246542685 510545422 /nfs/dbraw/zinc/54/54/22/510545422.db2.gz JYTUHCBLSJSLFL-PKOBYXMFSA-N 2 2 358.530 2.620 20 30 FFEDLP CN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246542685 510545429 /nfs/dbraw/zinc/54/54/29/510545429.db2.gz JYTUHCBLSJSLFL-PKOBYXMFSA-N 2 2 358.530 2.620 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270139139 510688645 /nfs/dbraw/zinc/68/86/45/510688645.db2.gz IDFOXBILHVXINU-KRWDZBQOSA-N 2 2 353.470 2.571 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270139139 510688653 /nfs/dbraw/zinc/68/86/53/510688653.db2.gz IDFOXBILHVXINU-KRWDZBQOSA-N 2 2 353.470 2.571 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247352632 510858221 /nfs/dbraw/zinc/85/82/21/510858221.db2.gz LMDMJFDCZFVSNI-ICSRJNTNSA-N 2 2 367.493 2.984 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247352632 510858222 /nfs/dbraw/zinc/85/82/22/510858222.db2.gz LMDMJFDCZFVSNI-ICSRJNTNSA-N 2 2 367.493 2.984 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282517151 511009952 /nfs/dbraw/zinc/00/99/52/511009952.db2.gz PEUYHGMZONGTSN-UYAOXDASSA-N 2 2 370.541 2.885 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282517151 511009955 /nfs/dbraw/zinc/00/99/55/511009955.db2.gz PEUYHGMZONGTSN-UYAOXDASSA-N 2 2 370.541 2.885 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000279374649 511060377 /nfs/dbraw/zinc/06/03/77/511060377.db2.gz FGMNJJJISFIYGE-UHFFFAOYSA-N 2 2 371.529 2.759 20 30 FFEDLP C#Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000289286573 511096715 /nfs/dbraw/zinc/09/67/15/511096715.db2.gz PEDYAKNLYKYQRJ-UHFFFAOYSA-N 2 2 350.462 2.669 20 30 FFEDLP CC(C)[NH+]1CCC([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000279532238 511117666 /nfs/dbraw/zinc/11/76/66/511117666.db2.gz RNRWGPLNTUPFIX-HXUWFJFHSA-N 2 2 354.498 2.858 20 30 FFEDLP CC(C)[NH+]1CCC([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000279532238 511117671 /nfs/dbraw/zinc/11/76/71/511117671.db2.gz RNRWGPLNTUPFIX-HXUWFJFHSA-N 2 2 354.498 2.858 20 30 FFEDLP Cc1ccc(C#N)cc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000365655702 511585585 /nfs/dbraw/zinc/58/55/85/511585585.db2.gz DYBLFEYUXZKTPJ-UHFFFAOYSA-N 2 2 369.513 2.939 20 30 FFEDLP C=C(C)CN(Cc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000280817733 511614431 /nfs/dbraw/zinc/61/44/31/511614431.db2.gz HNCQYRQEMICXNC-UHFFFAOYSA-N 2 2 358.530 2.800 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000293058817 511823670 /nfs/dbraw/zinc/82/36/70/511823670.db2.gz UPIXGFTVFJNETR-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000293058817 511823675 /nfs/dbraw/zinc/82/36/75/511823675.db2.gz UPIXGFTVFJNETR-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293058817 511823679 /nfs/dbraw/zinc/82/36/79/511823679.db2.gz UPIXGFTVFJNETR-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000293058817 511823684 /nfs/dbraw/zinc/82/36/84/511823684.db2.gz UPIXGFTVFJNETR-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328681456 511913977 /nfs/dbraw/zinc/91/39/77/511913977.db2.gz CNCLKRKLSSUSRV-MOPGFXCFSA-N 2 2 369.513 2.624 20 30 FFEDLP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328681456 511913982 /nfs/dbraw/zinc/91/39/82/511913982.db2.gz CNCLKRKLSSUSRV-MOPGFXCFSA-N 2 2 369.513 2.624 20 30 FFEDLP O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000329002489 511966290 /nfs/dbraw/zinc/96/62/90/511966290.db2.gz WHCJSTATZKBBNH-MOPGFXCFSA-N 2 2 361.461 2.517 20 30 FFEDLP O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000329002489 511966294 /nfs/dbraw/zinc/96/62/94/511966294.db2.gz WHCJSTATZKBBNH-MOPGFXCFSA-N 2 2 361.461 2.517 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000366495311 512054434 /nfs/dbraw/zinc/05/44/34/512054434.db2.gz FNKRFDMPLPDADG-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000366495311 512054442 /nfs/dbraw/zinc/05/44/42/512054442.db2.gz FNKRFDMPLPDADG-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000366495311 512054447 /nfs/dbraw/zinc/05/44/47/512054447.db2.gz FNKRFDMPLPDADG-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000366495311 512054452 /nfs/dbraw/zinc/05/44/52/512054452.db2.gz FNKRFDMPLPDADG-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP C[C@H](c1ccsc1)[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329648194 512081784 /nfs/dbraw/zinc/08/17/84/512081784.db2.gz FAXKVLAMYCEJCV-HIFRSBDPSA-N 2 2 359.499 2.621 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000329890276 512105538 /nfs/dbraw/zinc/10/55/38/512105538.db2.gz FZIJGTMCSIKWJF-LSDHHAIUSA-N 2 2 350.507 2.843 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000369647074 512531275 /nfs/dbraw/zinc/53/12/75/512531275.db2.gz JTEZPWNHGCSXIS-UWJYYQICSA-N 2 2 362.477 2.997 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000369647074 512531278 /nfs/dbraw/zinc/53/12/78/512531278.db2.gz JTEZPWNHGCSXIS-UWJYYQICSA-N 2 2 362.477 2.997 20 30 FFEDLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000439593900 513147539 /nfs/dbraw/zinc/14/75/39/513147539.db2.gz HSYJSPFUMDNSRN-NEWSRXKRSA-N 2 2 368.506 2.819 20 30 FFEDLP C[N@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000439593900 513147542 /nfs/dbraw/zinc/14/75/42/513147542.db2.gz HSYJSPFUMDNSRN-NEWSRXKRSA-N 2 2 368.506 2.819 20 30 FFEDLP C[NH+]1CCN(c2ccc(NCc3ccc(F)c(C#N)c3Cl)[nH+]c2)CC1 ZINC000428876128 513214223 /nfs/dbraw/zinc/21/42/23/513214223.db2.gz YUMZGEOVFCALNU-UHFFFAOYSA-N 2 2 359.836 2.532 20 30 FFEDLP COc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1C#N ZINC000442887237 513803887 /nfs/dbraw/zinc/80/38/87/513803887.db2.gz WYRRGJPDWUATID-ROUUACIJSA-N 2 2 356.514 2.557 20 30 FFEDLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424148339 514398759 /nfs/dbraw/zinc/39/87/59/514398759.db2.gz UGXOIQOBIXUYHX-QGZVFWFLSA-N 2 2 357.483 2.735 20 30 FFEDLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424148339 514398768 /nfs/dbraw/zinc/39/87/68/514398768.db2.gz UGXOIQOBIXUYHX-QGZVFWFLSA-N 2 2 357.483 2.735 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433297445 514450186 /nfs/dbraw/zinc/45/01/86/514450186.db2.gz LJLCSCOIZXAOCB-UHFFFAOYSA-N 2 2 356.514 2.557 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433297445 514450194 /nfs/dbraw/zinc/45/01/94/514450194.db2.gz LJLCSCOIZXAOCB-UHFFFAOYSA-N 2 2 356.514 2.557 20 30 FFEDLP Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450224527 514551342 /nfs/dbraw/zinc/55/13/42/514551342.db2.gz BSCVKGUZHJRYEC-WOJBJXKFSA-N 2 2 371.529 2.604 20 30 FFEDLP Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450224527 514551348 /nfs/dbraw/zinc/55/13/48/514551348.db2.gz BSCVKGUZHJRYEC-WOJBJXKFSA-N 2 2 371.529 2.604 20 30 FFEDLP Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450224523 514551695 /nfs/dbraw/zinc/55/16/95/514551695.db2.gz BSCVKGUZHJRYEC-PMACEKPBSA-N 2 2 371.529 2.604 20 30 FFEDLP Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450224523 514551699 /nfs/dbraw/zinc/55/16/99/514551699.db2.gz BSCVKGUZHJRYEC-PMACEKPBSA-N 2 2 371.529 2.604 20 30 FFEDLP N#Cc1ccccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512469899 516289552 /nfs/dbraw/zinc/28/95/52/516289552.db2.gz UNABGSQSYIISOB-QHCPKHFHSA-N 2 2 360.505 2.950 20 30 FFEDLP N#Cc1ccccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512469899 516289560 /nfs/dbraw/zinc/28/95/60/516289560.db2.gz UNABGSQSYIISOB-QHCPKHFHSA-N 2 2 360.505 2.950 20 30 FFEDLP CCOC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000544370395 516727897 /nfs/dbraw/zinc/72/78/97/516727897.db2.gz KDQGXFRVNJKLHE-UHFFFAOYSA-N 2 2 355.482 2.846 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C#N)c3C)CC2)CC1 ZINC000514595728 516953290 /nfs/dbraw/zinc/95/32/90/516953290.db2.gz IYSYCXKOZWRVJY-UHFFFAOYSA-N 2 2 369.513 2.891 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C#N)c3C)CC2)CC1 ZINC000514595728 516953299 /nfs/dbraw/zinc/95/32/99/516953299.db2.gz IYSYCXKOZWRVJY-UHFFFAOYSA-N 2 2 369.513 2.891 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccn3cc[nH+]c3c2)c(OC)c1 ZINC000520568851 517440538 /nfs/dbraw/zinc/44/05/38/517440538.db2.gz JCJRJMALQDBNPB-GOSISDBHSA-N 2 2 367.449 2.601 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000527050129 517472711 /nfs/dbraw/zinc/47/27/11/517472711.db2.gz BTEZSLIGZDZHKW-JXFKEZNVSA-N 2 2 373.497 2.571 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000527050129 517472725 /nfs/dbraw/zinc/47/27/25/517472725.db2.gz BTEZSLIGZDZHKW-JXFKEZNVSA-N 2 2 373.497 2.571 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000553439065 517714305 /nfs/dbraw/zinc/71/43/05/517714305.db2.gz LLUVMCXXAGTZKU-OAQYLSRUSA-N 2 2 369.509 2.840 20 30 FFEDLP N#Cc1ccsc1NC(=O)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127571 517755738 /nfs/dbraw/zinc/75/57/38/517755738.db2.gz HRRUHTDJSNMBKM-UHFFFAOYSA-N 2 2 355.467 2.920 20 30 FFEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000517126450 518033624 /nfs/dbraw/zinc/03/36/24/518033624.db2.gz FAQUBDPDADCNRT-QGZVFWFLSA-N 2 2 364.449 2.591 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)Cc3ccccc3)CC2)cc1 ZINC000539498295 518078316 /nfs/dbraw/zinc/07/83/16/518078316.db2.gz DCQIVQOBFMWTBZ-JOCHJYFZSA-N 2 2 363.505 2.963 20 30 FFEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000565165010 518818415 /nfs/dbraw/zinc/81/84/15/518818415.db2.gz OONXGFFHVPYZEB-UHFFFAOYSA-N 2 2 360.465 2.595 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423301 519072582 /nfs/dbraw/zinc/07/25/82/519072582.db2.gz FFOURWJTSAUVIK-SJORKVTESA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423301 519072584 /nfs/dbraw/zinc/07/25/84/519072584.db2.gz FFOURWJTSAUVIK-SJORKVTESA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423301 519072589 /nfs/dbraw/zinc/07/25/89/519072589.db2.gz FFOURWJTSAUVIK-SJORKVTESA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423301 519072595 /nfs/dbraw/zinc/07/25/95/519072595.db2.gz FFOURWJTSAUVIK-SJORKVTESA-N 2 2 362.543 2.571 20 30 FFEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000594493960 520002393 /nfs/dbraw/zinc/00/23/93/520002393.db2.gz CKEHDQYGVQKRMJ-JOCHJYFZSA-N 2 2 363.505 2.997 20 30 FFEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000594493960 520002407 /nfs/dbraw/zinc/00/24/07/520002407.db2.gz CKEHDQYGVQKRMJ-JOCHJYFZSA-N 2 2 363.505 2.997 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnn(CC(F)F)c3)CC2)c1 ZINC000593691713 521160064 /nfs/dbraw/zinc/16/00/64/521160064.db2.gz ISUTWDQPNRYOHT-UHFFFAOYSA-N 2 2 359.424 2.774 20 30 FFEDLP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCOCC1 ZINC000593725512 521178558 /nfs/dbraw/zinc/17/85/58/521178558.db2.gz NOWXVEHIZOEKET-QGZVFWFLSA-N 2 2 357.498 2.696 20 30 FFEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602456830 521358039 /nfs/dbraw/zinc/35/80/39/521358039.db2.gz YZPZARCTKIMBQK-UXHICEINSA-N 2 2 355.530 2.855 20 30 FFEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602456830 521358043 /nfs/dbraw/zinc/35/80/43/521358043.db2.gz YZPZARCTKIMBQK-UXHICEINSA-N 2 2 355.530 2.855 20 30 FFEDLP N#Cc1ccccc1N1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000596985650 521425543 /nfs/dbraw/zinc/42/55/43/521425543.db2.gz HUAZYBXJAQKUEV-UHFFFAOYSA-N 2 2 358.449 2.851 20 30 FFEDLP C[C@@H](CCC#N)C[NH2+]CC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000602680974 521476466 /nfs/dbraw/zinc/47/64/66/521476466.db2.gz IQUVVQCNJPZIJC-FQEVSTJZSA-N 2 2 370.541 2.887 20 30 FFEDLP COC(=O)c1[nH]c(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1C ZINC000602708876 521488503 /nfs/dbraw/zinc/48/85/03/521488503.db2.gz YWUDPQLDDODREV-UHFFFAOYSA-N 2 2 366.465 2.736 20 30 FFEDLP C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637620350 523743202 /nfs/dbraw/zinc/74/32/02/523743202.db2.gz BXXBZFPQVJWCFA-GOSISDBHSA-N 2 2 350.551 2.789 20 30 FFEDLP C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637620350 523743206 /nfs/dbraw/zinc/74/32/06/523743206.db2.gz BXXBZFPQVJWCFA-GOSISDBHSA-N 2 2 350.551 2.789 20 30 FFEDLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CC[NH+]3CCCC[C@@H]13)CC2 ZINC000330346338 568277005 /nfs/dbraw/zinc/27/70/05/568277005.db2.gz GKGQIBPPAPTXPF-MSOLQXFVSA-N 2 2 373.497 2.645 20 30 FFEDLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CC[NH+]3CCCC[C@@H]13)CC2 ZINC000330346338 568277007 /nfs/dbraw/zinc/27/70/07/568277007.db2.gz GKGQIBPPAPTXPF-MSOLQXFVSA-N 2 2 373.497 2.645 20 30 FFEDLP COc1cc2c(cc1OC)C[NH+](CC(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000330346338 568277008 /nfs/dbraw/zinc/27/70/08/568277008.db2.gz GKGQIBPPAPTXPF-MSOLQXFVSA-N 2 2 373.497 2.645 20 30 FFEDLP COc1cc2c(cc1OC)C[NH+](CC(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000330346338 568277010 /nfs/dbraw/zinc/27/70/10/568277010.db2.gz GKGQIBPPAPTXPF-MSOLQXFVSA-N 2 2 373.497 2.645 20 30 FFEDLP C=CC[NH+]1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC1 ZINC001165034369 721873949 /nfs/dbraw/zinc/87/39/49/721873949.db2.gz IMYPWTLHPNDITC-UHFFFAOYSA-N 2 2 368.859 2.965 20 30 FFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000104166775 728500983 /nfs/dbraw/zinc/50/09/83/728500983.db2.gz LQFQDFWCMQQVGD-SJORKVTESA-N 3 2 351.564 2.520 20 30 FFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000104166775 728500984 /nfs/dbraw/zinc/50/09/84/728500984.db2.gz LQFQDFWCMQQVGD-SJORKVTESA-N 3 2 351.564 2.520 20 30 FFEDLP Cc1cc(Br)cn2cc(CCNC(=[NH2+])NC3CCCC3)[nH+]c12 ZINC000262418206 729665598 /nfs/dbraw/zinc/66/55/98/729665598.db2.gz ZTMBARPKRYWKBL-UHFFFAOYSA-N 2 2 364.291 2.795 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)[C@@H](C)C1 ZINC000877030034 732315298 /nfs/dbraw/zinc/31/52/98/732315298.db2.gz WLFRFFHKXXEXFZ-YOEHRIQHSA-N 2 2 350.894 2.833 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)[C@@H](C)C1 ZINC000877030034 732315306 /nfs/dbraw/zinc/31/53/06/732315306.db2.gz WLFRFFHKXXEXFZ-YOEHRIQHSA-N 2 2 350.894 2.833 20 30 FFEDLP CN(CC[N@H+](C)Cc1cc(Cl)ccc1OCC#N)C1CC[NH+](C)CC1 ZINC000774728402 738019496 /nfs/dbraw/zinc/01/94/96/738019496.db2.gz MALYVPZVASXXMM-UHFFFAOYSA-N 2 2 364.921 2.700 20 30 FFEDLP CN(CC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N)C1CC[NH+](C)CC1 ZINC000774728402 738019498 /nfs/dbraw/zinc/01/94/98/738019498.db2.gz MALYVPZVASXXMM-UHFFFAOYSA-N 2 2 364.921 2.700 20 30 FFEDLP C=CCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000811883787 741570437 /nfs/dbraw/zinc/57/04/37/741570437.db2.gz WUEANNSICQNDEI-SFHVURJKSA-N 2 2 350.551 2.981 20 30 FFEDLP C=CCCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000811883787 741570439 /nfs/dbraw/zinc/57/04/39/741570439.db2.gz WUEANNSICQNDEI-SFHVURJKSA-N 2 2 350.551 2.981 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969981 971387580 /nfs/dbraw/zinc/38/75/80/971387580.db2.gz YMKXAXQNBFMBMA-YSTOQKLRSA-N 2 2 368.525 2.510 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969981 971387584 /nfs/dbraw/zinc/38/75/84/971387584.db2.gz YMKXAXQNBFMBMA-YSTOQKLRSA-N 2 2 368.525 2.510 20 30 FFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000960028392 1013305848 /nfs/dbraw/zinc/30/58/48/1013305848.db2.gz UUDBHWGHAUOBHE-IPMKNSEASA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000960028392 1013305859 /nfs/dbraw/zinc/30/58/59/1013305859.db2.gz UUDBHWGHAUOBHE-IPMKNSEASA-N 2 2 363.465 2.556 20 30 FFEDLP C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000656210047 962718660 /nfs/dbraw/zinc/71/86/60/962718660.db2.gz ASEJSHNJMVCUGO-LJQANCHMSA-N 2 2 362.562 2.933 20 30 FFEDLP C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000656210047 962718692 /nfs/dbraw/zinc/71/86/92/962718692.db2.gz ASEJSHNJMVCUGO-LJQANCHMSA-N 2 2 362.562 2.933 20 30 FFEDLP C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960681479 1013450345 /nfs/dbraw/zinc/45/03/45/1013450345.db2.gz RUBCIGQIXQKSNW-IPMKNSEASA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960681479 1013450350 /nfs/dbraw/zinc/45/03/50/1013450350.db2.gz RUBCIGQIXQKSNW-IPMKNSEASA-N 2 2 363.465 2.508 20 30 FFEDLP N#Cc1cccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)c1 ZINC001269553892 964200283 /nfs/dbraw/zinc/20/02/83/964200283.db2.gz FPFDKCYEEGUKGR-QZTJIDSGSA-N 2 2 363.465 2.604 20 30 FFEDLP N#Cc1cccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)c1 ZINC001269553892 964200293 /nfs/dbraw/zinc/20/02/93/964200293.db2.gz FPFDKCYEEGUKGR-QZTJIDSGSA-N 2 2 363.465 2.604 20 30 FFEDLP Cc1cc(C)n([C@H](C)CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000329073934 966617016 /nfs/dbraw/zinc/61/70/16/966617016.db2.gz PAXTYKFORYXFQI-QGZVFWFLSA-N 2 2 361.534 2.966 20 30 FFEDLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087240585 967712437 /nfs/dbraw/zinc/71/24/37/967712437.db2.gz JMTXVHVTFZDELG-BEFAXECRSA-N 2 2 365.481 2.549 20 30 FFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000657863471 968100977 /nfs/dbraw/zinc/10/09/77/968100977.db2.gz JFEYUFFGVBRHLC-RBUKOAKNSA-N 2 2 356.514 2.845 20 30 FFEDLP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1ccccc1 ZINC001211623728 968177729 /nfs/dbraw/zinc/17/77/29/968177729.db2.gz QEKHMSHCJLPJMJ-GHTZIAJQSA-N 2 2 358.445 2.784 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088709612 975428007 /nfs/dbraw/zinc/42/80/07/975428007.db2.gz LCHGSTRNKPEYGG-ACJLOTCBSA-N 2 2 365.462 2.660 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088709612 975428010 /nfs/dbraw/zinc/42/80/10/975428010.db2.gz LCHGSTRNKPEYGG-ACJLOTCBSA-N 2 2 365.462 2.660 20 30 FFEDLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)c2ccccc2)CC1 ZINC000876874726 1014407527 /nfs/dbraw/zinc/40/75/27/1014407527.db2.gz JOJXUPQEBYDCGK-IBGZPJMESA-N 2 2 369.900 2.685 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001087444063 977597610 /nfs/dbraw/zinc/59/76/10/977597610.db2.gz VPUJFMARTOSCMT-YPAWHYETSA-N 2 2 367.537 2.858 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001087444063 977597611 /nfs/dbraw/zinc/59/76/11/977597611.db2.gz VPUJFMARTOSCMT-YPAWHYETSA-N 2 2 367.537 2.858 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001087444063 977597619 /nfs/dbraw/zinc/59/76/19/977597619.db2.gz VPUJFMARTOSCMT-YPAWHYETSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)CC[C@@H]1c1cccc(F)c1 ZINC001087455607 977775218 /nfs/dbraw/zinc/77/52/18/977775218.db2.gz CLCJKIOJYHGITJ-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC)CC[C@@H]1c1cccc(F)c1 ZINC001087455607 977775224 /nfs/dbraw/zinc/77/52/24/977775224.db2.gz CLCJKIOJYHGITJ-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)CC[C@@H]1c1cccc(F)c1 ZINC001087455607 977775229 /nfs/dbraw/zinc/77/52/29/977775229.db2.gz CLCJKIOJYHGITJ-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)CC[C@@H]1c1cccc(F)c1 ZINC001087455607 977775233 /nfs/dbraw/zinc/77/52/33/977775233.db2.gz CLCJKIOJYHGITJ-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088564032 981126060 /nfs/dbraw/zinc/12/60/60/981126060.db2.gz SFJBAYOKRDMJDJ-UXPWSPDFSA-N 2 2 354.498 2.510 20 30 FFEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088564032 981126063 /nfs/dbraw/zinc/12/60/63/981126063.db2.gz SFJBAYOKRDMJDJ-UXPWSPDFSA-N 2 2 354.498 2.510 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088564032 981126067 /nfs/dbraw/zinc/12/60/67/981126067.db2.gz SFJBAYOKRDMJDJ-UXPWSPDFSA-N 2 2 354.498 2.510 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088564032 981126070 /nfs/dbraw/zinc/12/60/70/981126070.db2.gz SFJBAYOKRDMJDJ-UXPWSPDFSA-N 2 2 354.498 2.510 20 30 FFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1cccc(F)c1 ZINC000083029947 982776988 /nfs/dbraw/zinc/77/69/88/982776988.db2.gz SMDKOHMSSDQKAH-QZTJIDSGSA-N 2 2 356.445 2.857 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088891758 985345535 /nfs/dbraw/zinc/34/55/35/985345535.db2.gz NGEZLCHMTIQGSN-QUCCMNQESA-N 2 2 364.493 2.637 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088891758 985345544 /nfs/dbraw/zinc/34/55/44/985345544.db2.gz NGEZLCHMTIQGSN-QUCCMNQESA-N 2 2 364.493 2.637 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001106828935 989325770 /nfs/dbraw/zinc/32/57/70/989325770.db2.gz TUOGTBOPPXVVBI-RHSMWYFYSA-N 2 2 358.873 2.923 20 30 FFEDLP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000879947978 1015715342 /nfs/dbraw/zinc/71/53/42/1015715342.db2.gz RHLSGDLIRSUVFY-LJQANCHMSA-N 2 2 357.498 2.638 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC001081178445 993737853 /nfs/dbraw/zinc/73/78/53/993737853.db2.gz NPARJQPACTVBNM-JENIJYKNSA-N 2 2 350.466 2.600 20 30 FFEDLP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001133399480 995493540 /nfs/dbraw/zinc/49/35/40/995493540.db2.gz PAOKUKDZNYZPJO-QZTJIDSGSA-N 2 2 370.884 2.808 20 30 FFEDLP C#CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001133399480 995493541 /nfs/dbraw/zinc/49/35/41/995493541.db2.gz PAOKUKDZNYZPJO-QZTJIDSGSA-N 2 2 370.884 2.808 20 30 FFEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001096607843 1016347082 /nfs/dbraw/zinc/34/70/82/1016347082.db2.gz KGEGATVRUYDJEX-MLNNCEHLSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001096607843 1016347093 /nfs/dbraw/zinc/34/70/93/1016347093.db2.gz KGEGATVRUYDJEX-MLNNCEHLSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096607843 1016347104 /nfs/dbraw/zinc/34/71/04/1016347104.db2.gz KGEGATVRUYDJEX-MLNNCEHLSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096607843 1016347114 /nfs/dbraw/zinc/34/71/14/1016347114.db2.gz KGEGATVRUYDJEX-MLNNCEHLSA-N 2 2 365.521 2.634 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[N@@H+]1C ZINC000741791251 999743168 /nfs/dbraw/zinc/74/31/68/999743168.db2.gz SSILJLFAPGVWCC-OIISXLGYSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[N@H+]1C ZINC000741791251 999743169 /nfs/dbraw/zinc/74/31/69/999743169.db2.gz SSILJLFAPGVWCC-OIISXLGYSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[NH+]1C ZINC000741791251 999743170 /nfs/dbraw/zinc/74/31/70/999743170.db2.gz SSILJLFAPGVWCC-OIISXLGYSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[NH+]1C ZINC000741791251 999743171 /nfs/dbraw/zinc/74/31/71/999743171.db2.gz SSILJLFAPGVWCC-OIISXLGYSA-N 2 2 363.465 2.638 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453337 999992843 /nfs/dbraw/zinc/99/28/43/999992843.db2.gz HTAWHRYBEPMBEB-HOCLYGCPSA-N 2 2 372.432 2.826 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000746453337 999992845 /nfs/dbraw/zinc/99/28/45/999992845.db2.gz HTAWHRYBEPMBEB-HOCLYGCPSA-N 2 2 372.432 2.826 20 30 FFEDLP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358842 1001352161 /nfs/dbraw/zinc/35/21/61/1001352161.db2.gz LSBDDNAKAVGNSC-KFKAGJAMSA-N 2 2 365.481 2.850 20 30 FFEDLP C[C@@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358842 1001352166 /nfs/dbraw/zinc/35/21/66/1001352166.db2.gz LSBDDNAKAVGNSC-KFKAGJAMSA-N 2 2 365.481 2.850 20 30 FFEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001096886338 1016677045 /nfs/dbraw/zinc/67/70/45/1016677045.db2.gz KFAWEFHSIXJUSS-ZRNYENFQSA-N 2 2 371.912 2.507 20 30 FFEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001096886338 1016677054 /nfs/dbraw/zinc/67/70/54/1016677054.db2.gz KFAWEFHSIXJUSS-ZRNYENFQSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096886338 1016677063 /nfs/dbraw/zinc/67/70/63/1016677063.db2.gz KFAWEFHSIXJUSS-ZRNYENFQSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096886338 1016677072 /nfs/dbraw/zinc/67/70/72/1016677072.db2.gz KFAWEFHSIXJUSS-ZRNYENFQSA-N 2 2 371.912 2.507 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001186204087 1003221573 /nfs/dbraw/zinc/22/15/73/1003221573.db2.gz YLMINYPXFCVIPH-UYAOXDASSA-N 2 2 370.472 2.820 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001186204087 1003221582 /nfs/dbraw/zinc/22/15/82/1003221582.db2.gz YLMINYPXFCVIPH-UYAOXDASSA-N 2 2 370.472 2.820 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCC(F)(F)F ZINC001110679335 1006716481 /nfs/dbraw/zinc/71/64/81/1006716481.db2.gz UXEALETXUYUCEP-NCOADZHNSA-N 2 2 371.447 2.538 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC(F)(F)F ZINC001110679335 1006716493 /nfs/dbraw/zinc/71/64/93/1006716493.db2.gz UXEALETXUYUCEP-NCOADZHNSA-N 2 2 371.447 2.538 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCC(F)(F)F ZINC001110679335 1006716504 /nfs/dbraw/zinc/71/65/04/1006716504.db2.gz UXEALETXUYUCEP-NCOADZHNSA-N 2 2 371.447 2.538 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCC(F)(F)F ZINC001110679335 1006716517 /nfs/dbraw/zinc/71/65/17/1006716517.db2.gz UXEALETXUYUCEP-NCOADZHNSA-N 2 2 371.447 2.538 20 30 FFEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001170840953 1007175202 /nfs/dbraw/zinc/17/52/02/1007175202.db2.gz FBJYBPIHCSLOPH-GUDVDZBRSA-N 2 2 358.530 2.995 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000884176266 1007288193 /nfs/dbraw/zinc/28/81/93/1007288193.db2.gz BAROSCJTACJTHX-SFHVURJKSA-N 2 2 373.497 2.836 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000884176266 1007288198 /nfs/dbraw/zinc/28/81/98/1007288198.db2.gz BAROSCJTACJTHX-SFHVURJKSA-N 2 2 373.497 2.836 20 30 FFEDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000817941383 1007817833 /nfs/dbraw/zinc/81/78/33/1007817833.db2.gz JPKXRPADHJGMFL-JOCHJYFZSA-N 2 2 363.509 2.883 20 30 FFEDLP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001274487317 1011466255 /nfs/dbraw/zinc/46/62/55/1011466255.db2.gz OOVZXCRDQJKNCA-RTBURBONSA-N 2 2 364.493 2.849 20 30 FFEDLP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001274487317 1011466260 /nfs/dbraw/zinc/46/62/60/1011466260.db2.gz OOVZXCRDQJKNCA-RTBURBONSA-N 2 2 364.493 2.849 20 30 FFEDLP CCCCCCCC[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275113543 1011955123 /nfs/dbraw/zinc/95/51/23/1011955123.db2.gz FHSIKKDWQOZOSN-FQEVSTJZSA-N 2 2 362.518 2.584 20 30 FFEDLP CCCCCCCC[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275113543 1011955126 /nfs/dbraw/zinc/95/51/26/1011955126.db2.gz FHSIKKDWQOZOSN-FQEVSTJZSA-N 2 2 362.518 2.584 20 30 FFEDLP C[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000303875980 1012478665 /nfs/dbraw/zinc/47/86/65/1012478665.db2.gz HWHZWBSCAWKAFL-UHFFFAOYSA-N 2 2 354.454 2.707 20 30 FFEDLP C[N@@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000303875980 1012478673 /nfs/dbraw/zinc/47/86/73/1012478673.db2.gz HWHZWBSCAWKAFL-UHFFFAOYSA-N 2 2 354.454 2.707 20 30 FFEDLP C[C@@H]1CCCN(C(=[NH2+])NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000303909761 1012515829 /nfs/dbraw/zinc/51/58/29/1012515829.db2.gz YMKBAYINNOKNFX-HXUWFJFHSA-N 2 2 371.573 2.631 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097445226 1017472176 /nfs/dbraw/zinc/47/21/76/1017472176.db2.gz ZZRHDHBJTFSDKF-NRSPTQNISA-N 2 2 371.444 2.741 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097445226 1017472181 /nfs/dbraw/zinc/47/21/81/1017472181.db2.gz ZZRHDHBJTFSDKF-NRSPTQNISA-N 2 2 371.444 2.741 20 30 FFEDLP Cn1c[nH+]cc1CCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000902225081 1019988075 /nfs/dbraw/zinc/98/80/75/1019988075.db2.gz CBMFTLILFHPUKH-UHFFFAOYSA-N 2 2 365.437 2.664 20 30 FFEDLP C(#CC[NH+]1CCC(c2ncco2)CC1)C[NH+]1CCC(c2ncco2)CC1 ZINC000931446871 1020470352 /nfs/dbraw/zinc/47/03/52/1020470352.db2.gz VSAGCSNBMFEHEV-UHFFFAOYSA-N 2 2 354.454 2.725 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000900564877 1020503045 /nfs/dbraw/zinc/50/30/45/1020503045.db2.gz BVWZRYDPYTUPIQ-UHFFFAOYSA-N 2 2 366.469 2.770 20 30 FFEDLP C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000778488667 1022033130 /nfs/dbraw/zinc/03/31/30/1022033130.db2.gz JQGKNOMPWQXCMH-QFIPXVFZSA-N 2 2 365.477 2.658 20 30 FFEDLP C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000778488667 1022033138 /nfs/dbraw/zinc/03/31/38/1022033138.db2.gz JQGKNOMPWQXCMH-QFIPXVFZSA-N 2 2 365.477 2.658 20 30 FFEDLP C[NH+](Cc1ccc(OCC#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000778488667 1022033152 /nfs/dbraw/zinc/03/31/52/1022033152.db2.gz JQGKNOMPWQXCMH-QFIPXVFZSA-N 2 2 365.477 2.658 20 30 FFEDLP C[NH+](Cc1ccc(OCC#N)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000778488667 1022033164 /nfs/dbraw/zinc/03/31/64/1022033164.db2.gz JQGKNOMPWQXCMH-QFIPXVFZSA-N 2 2 365.477 2.658 20 30 FFEDLP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001016629365 1022059647 /nfs/dbraw/zinc/05/96/47/1022059647.db2.gz NPGJGHZYMTTZBO-QRVBRYPASA-N 2 2 368.525 2.701 20 30 FFEDLP C[C@H]([NH2+]C1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCOCC1)c1ccccc1 ZINC001120492890 1023340458 /nfs/dbraw/zinc/34/04/58/1023340458.db2.gz RHLXGEDVEBKBMX-PKOBYXMFSA-N 2 2 359.514 2.777 20 30 FFEDLP N#Cc1c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])oc(-c2ccccc2)c1-c1ccccc1 ZINC001218555311 1033219487 /nfs/dbraw/zinc/21/94/87/1033219487.db2.gz YSVVMYMOKGOUEV-ROUUACIJSA-N 2 2 372.428 2.970 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001112361849 1030660119 /nfs/dbraw/zinc/66/01/19/1030660119.db2.gz KLXOKLDCUOAMOF-AVRDEDQJSA-N 2 2 370.541 2.946 20 30 FFEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000799174111 1031679199 /nfs/dbraw/zinc/67/91/99/1031679199.db2.gz ANUSEUOSZYXDNE-KRWDZBQOSA-N 2 2 363.465 2.641 20 30 FFEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000799174111 1031679202 /nfs/dbraw/zinc/67/92/02/1031679202.db2.gz ANUSEUOSZYXDNE-KRWDZBQOSA-N 2 2 363.465 2.641 20 30 FFEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205439620 1031745743 /nfs/dbraw/zinc/74/57/43/1031745743.db2.gz CWSRFTWRNLHCQT-FFZOFVMBSA-N 2 2 368.456 2.581 20 30 FFEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001227776299 1035730504 /nfs/dbraw/zinc/73/05/04/1035730504.db2.gz LFJXUDROQPZNOK-WOJBJXKFSA-N 2 2 368.481 2.706 20 30 FFEDLP N#Cc1ccc(O)c(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001232675658 1035932336 /nfs/dbraw/zinc/93/23/36/1035932336.db2.gz CJUVPYGXSNDUPE-UHFFFAOYSA-N 2 2 365.481 2.505 20 30 FFEDLP N#Cc1ccc(O)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001232675658 1035932340 /nfs/dbraw/zinc/93/23/40/1035932340.db2.gz CJUVPYGXSNDUPE-UHFFFAOYSA-N 2 2 365.481 2.505 20 30 FFEDLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001230344201 1037237506 /nfs/dbraw/zinc/23/75/06/1037237506.db2.gz IHLFLOMPIYCDDL-NHCUHLMSSA-N 2 2 364.493 2.732 20 30 FFEDLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001235516301 1037602953 /nfs/dbraw/zinc/60/29/53/1037602953.db2.gz UNTZSTJORBJBBU-HXUWFJFHSA-N 2 2 369.509 2.992 20 30 FFEDLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001235516301 1037602955 /nfs/dbraw/zinc/60/29/55/1037602955.db2.gz UNTZSTJORBJBBU-HXUWFJFHSA-N 2 2 369.509 2.992 20 30 FFEDLP C=CCOc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)c1 ZINC001231622231 1037744308 /nfs/dbraw/zinc/74/43/08/1037744308.db2.gz TZHRJDUMNCINNZ-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1cccc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CCOC)C3)c1 ZINC001231622231 1037744312 /nfs/dbraw/zinc/74/43/12/1037744312.db2.gz TZHRJDUMNCINNZ-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)c1 ZINC001231622231 1037744321 /nfs/dbraw/zinc/74/43/21/1037744321.db2.gz TZHRJDUMNCINNZ-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)c1 ZINC001231622231 1037744324 /nfs/dbraw/zinc/74/43/24/1037744324.db2.gz TZHRJDUMNCINNZ-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001208068037 1037994947 /nfs/dbraw/zinc/99/49/47/1037994947.db2.gz VGDFYAJVVNXESL-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)s1 ZINC001278925989 1038466895 /nfs/dbraw/zinc/46/68/95/1038466895.db2.gz WHXHNZQVNYYOKV-CALCHBBNSA-N 3 2 355.511 2.660 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4cc[nH+]c4)CC[C@@H]3C2)s1 ZINC001278925989 1038466897 /nfs/dbraw/zinc/46/68/97/1038466897.db2.gz WHXHNZQVNYYOKV-CALCHBBNSA-N 3 2 355.511 2.660 20 30 FFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)s1 ZINC001278925989 1038466902 /nfs/dbraw/zinc/46/69/02/1038466902.db2.gz WHXHNZQVNYYOKV-CALCHBBNSA-N 3 2 355.511 2.660 20 30 FFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4cc[nH+]c4)CC[C@@H]3C2)s1 ZINC001278925989 1038466904 /nfs/dbraw/zinc/46/69/04/1038466904.db2.gz WHXHNZQVNYYOKV-CALCHBBNSA-N 3 2 355.511 2.660 20 30 FFEDLP C=CCN(CC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1)C(=O)OCC ZINC001209018041 1038634984 /nfs/dbraw/zinc/63/49/84/1038634984.db2.gz AEKGHSHRWYIZQI-IRXDYDNUSA-N 2 2 363.527 2.756 20 30 FFEDLP C=CCCCCCCC[N@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209441868 1038867729 /nfs/dbraw/zinc/86/77/29/1038867729.db2.gz NLPNBDCLMNAVCQ-UHFFFAOYSA-N 2 2 359.562 2.973 20 30 FFEDLP C=CCCCCCCC[N@@H+]1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001209441868 1038867749 /nfs/dbraw/zinc/86/77/49/1038867749.db2.gz NLPNBDCLMNAVCQ-UHFFFAOYSA-N 2 2 359.562 2.973 20 30 FFEDLP C=CCCCCCC[N@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001209437338 1038867915 /nfs/dbraw/zinc/86/79/15/1038867915.db2.gz ILVMYDWAUYZFAO-HXUWFJFHSA-N 2 2 359.562 2.699 20 30 FFEDLP C=CCCCCCC[N@@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001209437338 1038867938 /nfs/dbraw/zinc/86/79/38/1038867938.db2.gz ILVMYDWAUYZFAO-HXUWFJFHSA-N 2 2 359.562 2.699 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+]([C@@H]4CCCC[NH2+]C4)C3)C2)c1 ZINC001246768290 1039474288 /nfs/dbraw/zinc/47/42/88/1039474288.db2.gz UAJAMZZLPGOROS-YADHBBJMSA-N 2 2 368.525 2.619 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+]([C@@H]4CCCC[NH2+]C4)C3)C2)c1 ZINC001246768290 1039474293 /nfs/dbraw/zinc/47/42/93/1039474293.db2.gz UAJAMZZLPGOROS-YADHBBJMSA-N 2 2 368.525 2.619 20 30 FFEDLP N#Cc1ccccc1C[C@H]([NH3+])Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001248180716 1040161164 /nfs/dbraw/zinc/16/11/64/1040161164.db2.gz YVKFJPKBRMDLPQ-SFHVURJKSA-N 2 2 370.416 2.906 20 30 FFEDLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001278749056 1040452920 /nfs/dbraw/zinc/45/29/20/1040452920.db2.gz BTWSGDAVLCJTGC-OAQYLSRUSA-N 2 2 358.505 2.937 20 30 FFEDLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001278749056 1040452931 /nfs/dbraw/zinc/45/29/31/1040452931.db2.gz BTWSGDAVLCJTGC-OAQYLSRUSA-N 2 2 358.505 2.937 20 30 FFEDLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664455 1040864194 /nfs/dbraw/zinc/86/41/94/1040864194.db2.gz HWYYOHURJHOBEF-QFHJOOASSA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664455 1040864208 /nfs/dbraw/zinc/86/42/08/1040864208.db2.gz HWYYOHURJHOBEF-QFHJOOASSA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CC[C@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664455 1040864214 /nfs/dbraw/zinc/86/42/14/1040864214.db2.gz HWYYOHURJHOBEF-QFHJOOASSA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CC[C@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664455 1040864220 /nfs/dbraw/zinc/86/42/20/1040864220.db2.gz HWYYOHURJHOBEF-QFHJOOASSA-N 2 2 360.527 2.667 20 30 FFEDLP [NH2+]=C(NC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)cn1 ZINC001254993362 1041088892 /nfs/dbraw/zinc/08/88/92/1041088892.db2.gz AJFUCMOWXNKDRF-AYHJJNSGSA-N 2 2 370.884 2.872 20 30 FFEDLP [NH2+]=C(NC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1)c1ccc(Cl)cn1 ZINC001254993362 1041088911 /nfs/dbraw/zinc/08/89/11/1041088911.db2.gz AJFUCMOWXNKDRF-AYHJJNSGSA-N 2 2 370.884 2.872 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001262952247 1041985267 /nfs/dbraw/zinc/98/52/67/1041985267.db2.gz NVGVNCJWOONWEY-OTWHNJEPSA-N 2 2 372.561 2.617 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C)[NH+](C)C ZINC001264148727 1042638427 /nfs/dbraw/zinc/63/84/27/1042638427.db2.gz MQTJGMUDDNNIMS-AYOQOUSVSA-N 2 2 361.917 2.611 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C)[NH+](C)C ZINC001264148727 1042638430 /nfs/dbraw/zinc/63/84/30/1042638430.db2.gz MQTJGMUDDNNIMS-AYOQOUSVSA-N 2 2 361.917 2.611 20 30 FFEDLP COc1ccc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c(C#N)c1 ZINC001279405398 1043064358 /nfs/dbraw/zinc/06/43/58/1043064358.db2.gz RSYRPNCICFHIEC-RTWAWAEBSA-N 2 2 356.514 2.653 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCCCO2)C3)cc1C#N ZINC001279473799 1043155368 /nfs/dbraw/zinc/15/53/68/1043155368.db2.gz CFBYXMCTBROLLG-SFTDATJTSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCCCO2)C3)cc1C#N ZINC001279473799 1043155371 /nfs/dbraw/zinc/15/53/71/1043155371.db2.gz CFBYXMCTBROLLG-SFTDATJTSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@@H]2CCCCO2)C3)cc1C#N ZINC001279473799 1043155376 /nfs/dbraw/zinc/15/53/76/1043155376.db2.gz CFBYXMCTBROLLG-SFTDATJTSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C[C@@H]2CCCCO2)C3)cc1C#N ZINC001279473799 1043155378 /nfs/dbraw/zinc/15/53/78/1043155378.db2.gz CFBYXMCTBROLLG-SFTDATJTSA-N 2 2 356.514 2.754 20 30 FFEDLP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4[nH]ccc4C#N)(C2)CCC3)n(C)n1 ZINC001279689122 1043471970 /nfs/dbraw/zinc/47/19/70/1043471970.db2.gz ZTJJYGHTTCEORW-VQTJNVASSA-N 2 2 352.486 2.653 20 30 FFEDLP COCCOC[NH+]1CCC2(CC1)C[N@H+](CCCC#N)Cc1ccccc12 ZINC001280181397 1044361763 /nfs/dbraw/zinc/36/17/63/1044361763.db2.gz NWNIMPPUIVXXJW-UHFFFAOYSA-N 2 2 357.498 2.760 20 30 FFEDLP COCCOC[NH+]1CCC2(CC1)C[N@@H+](CCCC#N)Cc1ccccc12 ZINC001280181397 1044361775 /nfs/dbraw/zinc/36/17/75/1044361775.db2.gz NWNIMPPUIVXXJW-UHFFFAOYSA-N 2 2 357.498 2.760 20 30 FFEDLP C#CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CC1 ZINC001341068048 1051409252 /nfs/dbraw/zinc/40/92/52/1051409252.db2.gz ZEBCDMSRBJDJTO-UHFFFAOYSA-N 2 2 357.523 2.519 20 30 FFEDLP C#CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CC1 ZINC001341068048 1051409261 /nfs/dbraw/zinc/40/92/61/1051409261.db2.gz ZEBCDMSRBJDJTO-UHFFFAOYSA-N 2 2 357.523 2.519 20 30 FFEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308033602 1052388955 /nfs/dbraw/zinc/38/89/55/1052388955.db2.gz NGDQADARKXQCDD-PMACEKPBSA-N 2 2 362.433 2.526 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001346188008 1052781675 /nfs/dbraw/zinc/78/16/75/1052781675.db2.gz NYBCFIMHZYLQSM-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001346188008 1052781677 /nfs/dbraw/zinc/78/16/77/1052781677.db2.gz NYBCFIMHZYLQSM-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001339023806 1056025323 /nfs/dbraw/zinc/02/53/23/1056025323.db2.gz QGBRZTWEHZTBLG-QGZVFWFLSA-N 2 2 371.533 2.827 20 30 FFEDLP C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001339023806 1056025336 /nfs/dbraw/zinc/02/53/36/1056025336.db2.gz QGBRZTWEHZTBLG-QGZVFWFLSA-N 2 2 371.533 2.827 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)Cc2ccccc2C#N)C(C)C)CC[N@@H+]1C ZINC001507802461 1059720769 /nfs/dbraw/zinc/72/07/69/1059720769.db2.gz UDUSNWLZAHQMOW-LEWJYISDSA-N 2 2 370.541 2.957 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)Cc2ccccc2C#N)C(C)C)CC[N@H+]1C ZINC001507802461 1059720783 /nfs/dbraw/zinc/72/07/83/1059720783.db2.gz UDUSNWLZAHQMOW-LEWJYISDSA-N 2 2 370.541 2.957 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N(CC[N@H+](C)Cc2ccccc2C#N)C(C)C)CC[NH+]1C ZINC001507802461 1059720802 /nfs/dbraw/zinc/72/08/02/1059720802.db2.gz UDUSNWLZAHQMOW-LEWJYISDSA-N 2 2 370.541 2.957 20 30 FFEDLP CC[C@@H]1[C@@H](C(=O)N(CC[N@@H+](C)Cc2ccccc2C#N)C(C)C)CC[NH+]1C ZINC001507802461 1059720819 /nfs/dbraw/zinc/72/08/19/1059720819.db2.gz UDUSNWLZAHQMOW-LEWJYISDSA-N 2 2 370.541 2.957 20 30 FFEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)C1 ZINC001471832885 1064812422 /nfs/dbraw/zinc/81/24/22/1064812422.db2.gz LCQCPCLXNBMSSY-LEWJYISDSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)C1 ZINC001471832885 1064812429 /nfs/dbraw/zinc/81/24/29/1064812429.db2.gz LCQCPCLXNBMSSY-LEWJYISDSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2cccc(C)c2)C1 ZINC001471832885 1064812437 /nfs/dbraw/zinc/81/24/37/1064812437.db2.gz LCQCPCLXNBMSSY-LEWJYISDSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2cccc(C)c2)C1 ZINC001471832885 1064812445 /nfs/dbraw/zinc/81/24/45/1064812445.db2.gz LCQCPCLXNBMSSY-LEWJYISDSA-N 2 2 353.510 2.563 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ncccc3F)CC2)cc1 ZINC000271892574 251905550 /nfs/dbraw/zinc/90/55/50/251905550.db2.gz SJCJXSPOPQBXQW-UHFFFAOYSA-N 2 2 354.429 2.725 20 30 FFEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(F)cc(C#N)cc3F)[nH+]c2)C1 ZINC000278675320 256336649 /nfs/dbraw/zinc/33/66/49/256336649.db2.gz GMFQPMYSFJFPNP-OAHLLOKOSA-N 2 2 357.408 2.984 20 30 FFEDLP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000373096398 512169993 /nfs/dbraw/zinc/16/99/93/512169993.db2.gz CTZDJPRDYRFRFK-CQSZACIVSA-N 2 2 357.483 2.788 20 30 FFEDLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000373096398 512169999 /nfs/dbraw/zinc/16/99/99/512169999.db2.gz CTZDJPRDYRFRFK-CQSZACIVSA-N 2 2 357.483 2.788 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)CC1 ZINC000057154332 507188399 /nfs/dbraw/zinc/18/83/99/507188399.db2.gz VXZZNQBWOVIFEZ-SFHVURJKSA-N 2 2 370.884 2.624 20 30 FFEDLP N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2)c1 ZINC000051187955 507748685 /nfs/dbraw/zinc/74/86/85/507748685.db2.gz SUYSUPXBCSGPDS-OAQYLSRUSA-N 2 2 365.477 2.684 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792303 507987353 /nfs/dbraw/zinc/98/73/53/507987353.db2.gz LQDPAZYUPDMOBB-QGZVFWFLSA-N 2 2 351.454 2.855 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000114789920 508347197 /nfs/dbraw/zinc/34/71/97/508347197.db2.gz ZCAJSYBBKAQVIK-GOSISDBHSA-N 2 2 371.529 2.510 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115597412 508416576 /nfs/dbraw/zinc/41/65/76/508416576.db2.gz KXHATJWWRMTZAM-NRFANRHFSA-N 2 2 362.477 2.647 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152392761 508436950 /nfs/dbraw/zinc/43/69/50/508436950.db2.gz QXYABVQQZGPDNZ-UONOGXRCSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152392761 508436955 /nfs/dbraw/zinc/43/69/55/508436955.db2.gz QXYABVQQZGPDNZ-UONOGXRCSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152392761 508436959 /nfs/dbraw/zinc/43/69/59/508436959.db2.gz QXYABVQQZGPDNZ-UONOGXRCSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152392761 508436963 /nfs/dbraw/zinc/43/69/63/508436963.db2.gz QXYABVQQZGPDNZ-UONOGXRCSA-N 2 2 360.527 2.709 20 30 FFEDLP N#Cc1ccc2ncc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)n2c1 ZINC000123235667 508656007 /nfs/dbraw/zinc/65/60/07/508656007.db2.gz UHKMSPIPPWSYRT-UHFFFAOYSA-N 2 2 374.492 2.508 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123549696 508704492 /nfs/dbraw/zinc/70/44/92/508704492.db2.gz HAFORMUCEGLHEL-NVXWUHKLSA-N 2 2 351.454 2.573 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123549696 508704497 /nfs/dbraw/zinc/70/44/97/508704497.db2.gz HAFORMUCEGLHEL-NVXWUHKLSA-N 2 2 351.454 2.573 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158547929 508719340 /nfs/dbraw/zinc/71/93/40/508719340.db2.gz AQVGKGNDLJOHLJ-SQGPQFPESA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158547929 508719343 /nfs/dbraw/zinc/71/93/43/508719343.db2.gz AQVGKGNDLJOHLJ-SQGPQFPESA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158547929 508719346 /nfs/dbraw/zinc/71/93/46/508719346.db2.gz AQVGKGNDLJOHLJ-SQGPQFPESA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158547929 508719347 /nfs/dbraw/zinc/71/93/47/508719347.db2.gz AQVGKGNDLJOHLJ-SQGPQFPESA-N 2 2 372.488 2.877 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158732745 508745686 /nfs/dbraw/zinc/74/56/86/508745686.db2.gz GMUZUMHQYKCUHV-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158732745 508745690 /nfs/dbraw/zinc/74/56/90/508745690.db2.gz GMUZUMHQYKCUHV-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158732745 508745693 /nfs/dbraw/zinc/74/56/93/508745693.db2.gz GMUZUMHQYKCUHV-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158732745 508745695 /nfs/dbraw/zinc/74/56/95/508745695.db2.gz GMUZUMHQYKCUHV-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2nc(Cc3ccccc3)no2)cc1 ZINC000266999949 509300453 /nfs/dbraw/zinc/30/04/53/509300453.db2.gz GPXKWMYDVYZQRH-UHFFFAOYSA-N 2 2 365.437 2.559 20 30 FFEDLP CCCN(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179281148 509354374 /nfs/dbraw/zinc/35/43/74/509354374.db2.gz CFIPXHIZZRIIDC-UHFFFAOYSA-N 2 2 371.529 2.506 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)CC1 ZINC000264421325 509517845 /nfs/dbraw/zinc/51/78/45/509517845.db2.gz RCTTVENVGZUEGA-SFHVURJKSA-N 2 2 371.460 2.598 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H](CN2CCOCC2)c2ccc(CC)cc2)CC1 ZINC000183562810 509863835 /nfs/dbraw/zinc/86/38/35/509863835.db2.gz WSXIWOQGEDBGAM-JOCHJYFZSA-N 2 2 357.542 2.862 20 30 FFEDLP C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261980175 510134854 /nfs/dbraw/zinc/13/48/54/510134854.db2.gz OSAPSDMROZZOGB-NXHRZFHOSA-N 2 2 374.558 2.706 20 30 FFEDLP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652318 510282404 /nfs/dbraw/zinc/28/24/04/510282404.db2.gz UOEVQAGAHQUXOK-ROUUACIJSA-N 2 2 369.513 2.855 20 30 FFEDLP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652318 510282411 /nfs/dbraw/zinc/28/24/11/510282411.db2.gz UOEVQAGAHQUXOK-ROUUACIJSA-N 2 2 369.513 2.855 20 30 FFEDLP N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000181437597 510407327 /nfs/dbraw/zinc/40/73/27/510407327.db2.gz XGZRNYVGPSROOA-QGZVFWFLSA-N 2 2 374.286 2.528 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000246342445 510437260 /nfs/dbraw/zinc/43/72/60/510437260.db2.gz GZBHXUBIGZDKTP-LAUBAEHRSA-N 2 2 350.466 2.832 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000246342445 510437269 /nfs/dbraw/zinc/43/72/69/510437269.db2.gz GZBHXUBIGZDKTP-LAUBAEHRSA-N 2 2 350.466 2.832 20 30 FFEDLP C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246449726 510496745 /nfs/dbraw/zinc/49/67/45/510496745.db2.gz CQSAUXRWSZIIRE-PKOBYXMFSA-N 2 2 351.454 2.713 20 30 FFEDLP C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246449726 510496749 /nfs/dbraw/zinc/49/67/49/510496749.db2.gz CQSAUXRWSZIIRE-PKOBYXMFSA-N 2 2 351.454 2.713 20 30 FFEDLP C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246449710 510496836 /nfs/dbraw/zinc/49/68/36/510496836.db2.gz CQSAUXRWSZIIRE-IEBWSBKVSA-N 2 2 351.454 2.713 20 30 FFEDLP C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246449710 510496839 /nfs/dbraw/zinc/49/68/39/510496839.db2.gz CQSAUXRWSZIIRE-IEBWSBKVSA-N 2 2 351.454 2.713 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178327845 510547811 /nfs/dbraw/zinc/54/78/11/510547811.db2.gz ZLABXXZJGUZFGM-UXHICEINSA-N 2 2 355.482 2.824 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178327845 510547819 /nfs/dbraw/zinc/54/78/19/510547819.db2.gz ZLABXXZJGUZFGM-UXHICEINSA-N 2 2 355.482 2.824 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247321796 510856958 /nfs/dbraw/zinc/85/69/58/510856958.db2.gz WFIOBNFGHQBOCU-VZLAHBCRSA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247321796 510856959 /nfs/dbraw/zinc/85/69/59/510856959.db2.gz WFIOBNFGHQBOCU-VZLAHBCRSA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247321796 510856960 /nfs/dbraw/zinc/85/69/60/510856960.db2.gz WFIOBNFGHQBOCU-VZLAHBCRSA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247321796 510856961 /nfs/dbraw/zinc/85/69/61/510856961.db2.gz WFIOBNFGHQBOCU-VZLAHBCRSA-N 2 2 360.546 2.722 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280240556 511387838 /nfs/dbraw/zinc/38/78/38/511387838.db2.gz NJQLTPORODGUEI-MRXNPFEDSA-N 2 2 367.497 2.990 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365734498 511627448 /nfs/dbraw/zinc/62/74/48/511627448.db2.gz JXONTOLOKFXPSA-FXAWDEMLSA-N 2 2 364.449 2.870 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365734498 511627454 /nfs/dbraw/zinc/62/74/54/511627454.db2.gz JXONTOLOKFXPSA-FXAWDEMLSA-N 2 2 364.449 2.870 20 30 FFEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@]12CCCO2 ZINC000274192765 511749967 /nfs/dbraw/zinc/74/99/67/511749967.db2.gz KHJWEGVKNOHNAT-YPAWHYETSA-N 2 2 369.509 2.839 20 30 FFEDLP Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000281422846 511842023 /nfs/dbraw/zinc/84/20/23/511842023.db2.gz YCHCZIFHPPXSHA-VQTJNVASSA-N 2 2 372.513 2.869 20 30 FFEDLP Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000281422846 511842029 /nfs/dbraw/zinc/84/20/29/511842029.db2.gz YCHCZIFHPPXSHA-VQTJNVASSA-N 2 2 372.513 2.869 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000328657774 511910736 /nfs/dbraw/zinc/91/07/36/511910736.db2.gz PTARALMEIKVSFC-HPFXQQBRSA-N 2 2 361.534 2.939 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CCC2 ZINC000328657774 511910743 /nfs/dbraw/zinc/91/07/43/511910743.db2.gz PTARALMEIKVSFC-HPFXQQBRSA-N 2 2 361.534 2.939 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCc3c([nH+]c(C(C)C)n3C)C1)CCC2 ZINC000328658976 511911687 /nfs/dbraw/zinc/91/16/87/511911687.db2.gz RYPGAYQNJFWCBS-HNNXBMFYSA-N 2 2 370.501 2.898 20 30 FFEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C)[C@H](C)[C@@H]3C)n2)C1 ZINC000329120786 511987148 /nfs/dbraw/zinc/98/71/48/511987148.db2.gz QBURDWGWOOKPBN-KFWWJZLASA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C)[C@H](C)[C@@H]3C)n2)C1 ZINC000329120786 511987150 /nfs/dbraw/zinc/98/71/50/511987150.db2.gz QBURDWGWOOKPBN-KFWWJZLASA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+](C)[C@H](C)[C@@H]3C)n2)C1 ZINC000329120786 511987154 /nfs/dbraw/zinc/98/71/54/511987154.db2.gz QBURDWGWOOKPBN-KFWWJZLASA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)n2)C1 ZINC000329120786 511987157 /nfs/dbraw/zinc/98/71/57/511987157.db2.gz QBURDWGWOOKPBN-KFWWJZLASA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329131624 511989462 /nfs/dbraw/zinc/98/94/62/511989462.db2.gz XXCLLMVDZFFZFB-ZIAGYGMSSA-N 2 2 351.520 2.699 20 30 FFEDLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329131624 511989468 /nfs/dbraw/zinc/98/94/68/511989468.db2.gz XXCLLMVDZFFZFB-ZIAGYGMSSA-N 2 2 351.520 2.699 20 30 FFEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329395498 512039862 /nfs/dbraw/zinc/03/98/62/512039862.db2.gz XBADWVIUOXBCIS-PKOBYXMFSA-N 2 2 373.545 2.696 20 30 FFEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329395498 512039864 /nfs/dbraw/zinc/03/98/64/512039864.db2.gz XBADWVIUOXBCIS-PKOBYXMFSA-N 2 2 373.545 2.696 20 30 FFEDLP CN(C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329425862 512045051 /nfs/dbraw/zinc/04/50/51/512045051.db2.gz IQRRXXDXEVGZNV-PMRDEQMMSA-N 2 2 373.545 2.966 20 30 FFEDLP CN(C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329425862 512045055 /nfs/dbraw/zinc/04/50/55/512045055.db2.gz IQRRXXDXEVGZNV-PMRDEQMMSA-N 2 2 373.545 2.966 20 30 FFEDLP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000368074760 512790708 /nfs/dbraw/zinc/79/07/08/512790708.db2.gz WKWVIFQISQKCAC-SJLPKXTDSA-N 2 2 354.479 2.983 20 30 FFEDLP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000368074760 512790712 /nfs/dbraw/zinc/79/07/12/512790712.db2.gz WKWVIFQISQKCAC-SJLPKXTDSA-N 2 2 354.479 2.983 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1F ZINC000421329410 513224572 /nfs/dbraw/zinc/22/45/72/513224572.db2.gz VOMSEGJAIGEUJU-UHFFFAOYSA-N 2 2 369.440 2.698 20 30 FFEDLP Cc1cc(NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425205408 513450974 /nfs/dbraw/zinc/45/09/74/513450974.db2.gz JAUZOLXJMRQZBK-IRXDYDNUSA-N 2 2 350.466 2.905 20 30 FFEDLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000435022764 513490191 /nfs/dbraw/zinc/49/01/91/513490191.db2.gz CWDBRIHDNDYGNZ-HXUWFJFHSA-N 2 2 373.497 2.595 20 30 FFEDLP C[N@H+](Cc1cccc(C#N)c1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425976522 513813620 /nfs/dbraw/zinc/81/36/20/513813620.db2.gz RGCDNSCREKUBMK-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[N@@H+](Cc1cccc(C#N)c1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425976522 513813624 /nfs/dbraw/zinc/81/36/24/513813624.db2.gz RGCDNSCREKUBMK-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1cccc(C#N)c1F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425976522 513813630 /nfs/dbraw/zinc/81/36/30/513813630.db2.gz RGCDNSCREKUBMK-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1cccc(C#N)c1F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425976522 513813639 /nfs/dbraw/zinc/81/36/39/513813639.db2.gz RGCDNSCREKUBMK-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP CC1(C#N)CCC([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000449097314 514070426 /nfs/dbraw/zinc/07/04/26/514070426.db2.gz DBEKIJBXGNDLMC-UHFFFAOYSA-N 2 2 357.498 2.960 20 30 FFEDLP C[C@@H](CC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000476537299 515090542 /nfs/dbraw/zinc/09/05/42/515090542.db2.gz BQDKTWKNARYLNS-OXJNMPFZSA-N 2 2 350.466 2.585 20 30 FFEDLP C[C@@H](CC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000476537299 515090551 /nfs/dbraw/zinc/09/05/51/515090551.db2.gz BQDKTWKNARYLNS-OXJNMPFZSA-N 2 2 350.466 2.585 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000519555459 517044261 /nfs/dbraw/zinc/04/42/61/517044261.db2.gz YXEHLFYWHNMYEG-ZEVUXNIQSA-N 2 2 357.502 2.529 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000519555459 517044269 /nfs/dbraw/zinc/04/42/69/517044269.db2.gz YXEHLFYWHNMYEG-ZEVUXNIQSA-N 2 2 357.502 2.529 20 30 FFEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(F)c1 ZINC000533449400 517472087 /nfs/dbraw/zinc/47/20/87/517472087.db2.gz QWGBBUSAOFPFSJ-UHFFFAOYSA-N 2 2 352.457 2.999 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060291 517887449 /nfs/dbraw/zinc/88/74/49/517887449.db2.gz ALSVKZDXFGTTKB-YLJYHZDGSA-N 2 2 359.518 2.818 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2cccc(C#N)c2F)CC1)Cc1ccccc1 ZINC000539237666 517960028 /nfs/dbraw/zinc/96/00/28/517960028.db2.gz BORLVCSSCITWMC-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2cccc(C#N)c2F)CC1)Cc1ccccc1 ZINC000539237666 517960039 /nfs/dbraw/zinc/96/00/39/517960039.db2.gz BORLVCSSCITWMC-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000572603084 518272071 /nfs/dbraw/zinc/27/20/71/518272071.db2.gz SILRCQVVPRJRJD-SFHVURJKSA-N 2 2 371.448 2.924 20 30 FFEDLP C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000571047055 518901676 /nfs/dbraw/zinc/90/16/76/518901676.db2.gz HGHPXMIMZGBJFG-SFHVURJKSA-N 2 2 360.465 2.555 20 30 FFEDLP C[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000571047055 518901683 /nfs/dbraw/zinc/90/16/83/518901683.db2.gz HGHPXMIMZGBJFG-SFHVURJKSA-N 2 2 360.465 2.555 20 30 FFEDLP C[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571047055 518901689 /nfs/dbraw/zinc/90/16/89/518901689.db2.gz HGHPXMIMZGBJFG-SFHVURJKSA-N 2 2 360.465 2.555 20 30 FFEDLP C[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571047055 518901694 /nfs/dbraw/zinc/90/16/94/518901694.db2.gz HGHPXMIMZGBJFG-SFHVURJKSA-N 2 2 360.465 2.555 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423300 519071989 /nfs/dbraw/zinc/07/19/89/519071989.db2.gz FFOURWJTSAUVIK-IRXDYDNUSA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423300 519071993 /nfs/dbraw/zinc/07/19/93/519071993.db2.gz FFOURWJTSAUVIK-IRXDYDNUSA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423300 519071999 /nfs/dbraw/zinc/07/19/99/519071999.db2.gz FFOURWJTSAUVIK-IRXDYDNUSA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423300 519072001 /nfs/dbraw/zinc/07/20/01/519072001.db2.gz FFOURWJTSAUVIK-IRXDYDNUSA-N 2 2 362.543 2.571 20 30 FFEDLP COC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000612404603 519944505 /nfs/dbraw/zinc/94/45/05/519944505.db2.gz TWIHKZOHPKIXIG-UHFFFAOYSA-N 2 2 355.482 2.846 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000608438205 519979352 /nfs/dbraw/zinc/97/93/52/519979352.db2.gz NYRKRQXYCWKZIE-LJQANCHMSA-N 2 2 367.497 2.654 20 30 FFEDLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602976937 520003257 /nfs/dbraw/zinc/00/32/57/520003257.db2.gz VNGCZNNOJOMVML-UXHICEINSA-N 2 2 354.498 2.523 20 30 FFEDLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602976937 520003266 /nfs/dbraw/zinc/00/32/66/520003266.db2.gz VNGCZNNOJOMVML-UXHICEINSA-N 2 2 354.498 2.523 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000594948382 520225296 /nfs/dbraw/zinc/22/52/96/520225296.db2.gz MFGGJQROGHLZEU-UHFFFAOYSA-N 3 2 372.476 2.893 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504035 520514703 /nfs/dbraw/zinc/51/47/03/520514703.db2.gz DFQQZGASKQRUBC-RXVVDRJESA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504035 520514710 /nfs/dbraw/zinc/51/47/10/520514710.db2.gz DFQQZGASKQRUBC-RXVVDRJESA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504035 520514716 /nfs/dbraw/zinc/51/47/16/520514716.db2.gz DFQQZGASKQRUBC-RXVVDRJESA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504035 520514722 /nfs/dbraw/zinc/51/47/22/520514722.db2.gz DFQQZGASKQRUBC-RXVVDRJESA-N 2 2 354.498 2.739 20 30 FFEDLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598612796 520742126 /nfs/dbraw/zinc/74/21/26/520742126.db2.gz DCIDHHAXPCUEIR-HZPDHXFCSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598612796 520742133 /nfs/dbraw/zinc/74/21/33/520742133.db2.gz DCIDHHAXPCUEIR-HZPDHXFCSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598612796 520742139 /nfs/dbraw/zinc/74/21/39/520742139.db2.gz DCIDHHAXPCUEIR-HZPDHXFCSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598612796 520742146 /nfs/dbraw/zinc/74/21/46/520742146.db2.gz DCIDHHAXPCUEIR-HZPDHXFCSA-N 2 2 350.532 2.506 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610945326 520914373 /nfs/dbraw/zinc/91/43/73/520914373.db2.gz XYTCIFFJIVFUER-NNVNDSJASA-N 2 2 357.502 2.839 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610945326 520914381 /nfs/dbraw/zinc/91/43/81/520914381.db2.gz XYTCIFFJIVFUER-NNVNDSJASA-N 2 2 357.502 2.839 20 30 FFEDLP C[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000611090142 520979976 /nfs/dbraw/zinc/97/99/76/520979976.db2.gz BQJDORQVCFKZSZ-OAQYLSRUSA-N 2 2 360.465 2.706 20 30 FFEDLP C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000611090142 520979986 /nfs/dbraw/zinc/97/99/86/520979986.db2.gz BQJDORQVCFKZSZ-OAQYLSRUSA-N 2 2 360.465 2.706 20 30 FFEDLP C[NH+](Cc1ccnc(C#N)c1)[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC000611090142 520979996 /nfs/dbraw/zinc/97/99/96/520979996.db2.gz BQJDORQVCFKZSZ-OAQYLSRUSA-N 2 2 360.465 2.706 20 30 FFEDLP C[NH+](Cc1ccnc(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000611090142 520980004 /nfs/dbraw/zinc/98/00/04/520980004.db2.gz BQJDORQVCFKZSZ-OAQYLSRUSA-N 2 2 360.465 2.706 20 30 FFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000328122381 729793985 /nfs/dbraw/zinc/79/39/85/729793985.db2.gz ROINBWWDOFQINU-UHFFFAOYSA-N 2 2 367.287 2.655 20 30 FFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000328122381 729793987 /nfs/dbraw/zinc/79/39/87/729793987.db2.gz ROINBWWDOFQINU-UHFFFAOYSA-N 2 2 367.287 2.655 20 30 FFEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc(C(F)(F)F)cc(C#N)n3)C2)CC1 ZINC000865536246 730967677 /nfs/dbraw/zinc/96/76/77/730967677.db2.gz UHQWLNYSVBPIKO-CYBMUJFWSA-N 2 2 353.392 2.552 20 30 FFEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc(C(F)(F)F)cc(C#N)n3)C2)CC1 ZINC000865536246 730967678 /nfs/dbraw/zinc/96/76/78/730967678.db2.gz UHQWLNYSVBPIKO-CYBMUJFWSA-N 2 2 353.392 2.552 20 30 FFEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926023771 738558260 /nfs/dbraw/zinc/55/82/60/738558260.db2.gz DOQFSDPQQAWUSR-CQSZACIVSA-N 2 2 361.515 2.625 20 30 FFEDLP C#CCOc1cccc(Cl)c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746267 732422443 /nfs/dbraw/zinc/42/24/43/732422443.db2.gz KHJLNMOJBSSTKH-UHFFFAOYSA-N 2 2 361.917 2.564 20 30 FFEDLP N#Cc1ccc([C@@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000819055662 742330950 /nfs/dbraw/zinc/33/09/50/742330950.db2.gz HJEBMIXQIDUIQJ-IBGZPJMESA-N 2 2 359.539 2.933 20 30 FFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1I ZINC000815652698 741950442 /nfs/dbraw/zinc/95/04/42/741950442.db2.gz NRIQVAVXSCRNDZ-ZDUSSCGKSA-N 2 2 356.251 2.897 20 30 FFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1I ZINC000815652698 741950443 /nfs/dbraw/zinc/95/04/43/741950443.db2.gz NRIQVAVXSCRNDZ-ZDUSSCGKSA-N 2 2 356.251 2.897 20 30 FFEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000834759438 745895392 /nfs/dbraw/zinc/89/53/92/745895392.db2.gz CAOQMYIJAHQIAW-XUVXKRRUSA-N 2 2 362.539 2.620 20 30 FFEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000834759438 745895396 /nfs/dbraw/zinc/89/53/96/745895396.db2.gz CAOQMYIJAHQIAW-XUVXKRRUSA-N 2 2 362.539 2.620 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087173564 965068554 /nfs/dbraw/zinc/06/85/54/965068554.db2.gz GHJATZJMAUIVPB-UZLBHIALSA-N 2 2 365.481 2.631 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087173564 965068562 /nfs/dbraw/zinc/06/85/62/965068562.db2.gz GHJATZJMAUIVPB-UZLBHIALSA-N 2 2 365.481 2.631 20 30 FFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104664970 970050457 /nfs/dbraw/zinc/05/04/57/970050457.db2.gz DPMPBCSVZYWXSW-YUELXQCFSA-N 2 2 350.894 2.656 20 30 FFEDLP C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661379239 974195359 /nfs/dbraw/zinc/19/53/59/974195359.db2.gz WKRHQCDJTIUXOH-SFHVURJKSA-N 2 2 357.498 2.745 20 30 FFEDLP C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000661379239 974195364 /nfs/dbraw/zinc/19/53/64/974195364.db2.gz WKRHQCDJTIUXOH-SFHVURJKSA-N 2 2 357.498 2.745 20 30 FFEDLP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001027889091 975682840 /nfs/dbraw/zinc/68/28/40/975682840.db2.gz KEYDBNKGLKKXRQ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001027889091 975682847 /nfs/dbraw/zinc/68/28/47/975682847.db2.gz KEYDBNKGLKKXRQ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C[N@@H+]1CCc2c(C#N)c(Nc3ccc[nH+]c3N3CCOCC3)sc2C1 ZINC001212350408 985457057 /nfs/dbraw/zinc/45/70/57/985457057.db2.gz VNFHKRGVKUBSFR-UHFFFAOYSA-N 2 2 355.467 2.583 20 30 FFEDLP C[N@H+]1CCc2c(C#N)c(Nc3ccc[nH+]c3N3CCOCC3)sc2C1 ZINC001212350408 985457058 /nfs/dbraw/zinc/45/70/58/985457058.db2.gz VNFHKRGVKUBSFR-UHFFFAOYSA-N 2 2 355.467 2.583 20 30 FFEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089061060 986144611 /nfs/dbraw/zinc/14/46/11/986144611.db2.gz VYFYKRCMVWVVMC-FHLIZLRMSA-N 2 2 360.527 2.573 20 30 FFEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089061060 986144618 /nfs/dbraw/zinc/14/46/18/986144618.db2.gz VYFYKRCMVWVVMC-FHLIZLRMSA-N 2 2 360.527 2.573 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089061060 986144623 /nfs/dbraw/zinc/14/46/23/986144623.db2.gz VYFYKRCMVWVVMC-FHLIZLRMSA-N 2 2 360.527 2.573 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001089061060 986144629 /nfs/dbraw/zinc/14/46/29/986144629.db2.gz VYFYKRCMVWVVMC-FHLIZLRMSA-N 2 2 360.527 2.573 20 30 FFEDLP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001005410007 989765378 /nfs/dbraw/zinc/76/53/78/989765378.db2.gz OSCXRVDEFFSVFR-IEBWSBKVSA-N 2 2 356.514 2.653 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001483985519 991302074 /nfs/dbraw/zinc/30/20/74/991302074.db2.gz ZWYKLOZQKWOOLD-QZTJIDSGSA-N 2 2 356.514 2.876 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001483985519 991302078 /nfs/dbraw/zinc/30/20/78/991302078.db2.gz ZWYKLOZQKWOOLD-QZTJIDSGSA-N 2 2 356.514 2.876 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079186606 991897335 /nfs/dbraw/zinc/89/73/35/991897335.db2.gz UHYVKRHAOZQNOJ-RBUKOAKNSA-N 2 2 356.445 2.642 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079186606 991897337 /nfs/dbraw/zinc/89/73/37/991897337.db2.gz UHYVKRHAOZQNOJ-RBUKOAKNSA-N 2 2 356.445 2.642 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001079305048 992005792 /nfs/dbraw/zinc/00/57/92/992005792.db2.gz IRBIKOYOFSUZRS-PKOBYXMFSA-N 2 2 356.445 2.573 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001079313328 992013275 /nfs/dbraw/zinc/01/32/75/992013275.db2.gz ICNJPQALNGOYQZ-VDZJLULYSA-N 2 2 356.445 2.744 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483032 993091221 /nfs/dbraw/zinc/09/12/21/993091221.db2.gz ZQGLWVFDHYZNJU-DQEVTTJGSA-N 2 2 361.917 2.521 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483032 993091227 /nfs/dbraw/zinc/09/12/27/993091227.db2.gz ZQGLWVFDHYZNJU-DQEVTTJGSA-N 2 2 361.917 2.521 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483032 993091232 /nfs/dbraw/zinc/09/12/32/993091232.db2.gz ZQGLWVFDHYZNJU-DQEVTTJGSA-N 2 2 361.917 2.521 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001080483032 993091237 /nfs/dbraw/zinc/09/12/37/993091237.db2.gz ZQGLWVFDHYZNJU-DQEVTTJGSA-N 2 2 361.917 2.521 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC001081178322 993738021 /nfs/dbraw/zinc/73/80/21/993738021.db2.gz LPGSVNSALQAWQJ-WSTZPKSXSA-N 2 2 364.493 2.990 20 30 FFEDLP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001054053065 1015936258 /nfs/dbraw/zinc/93/62/58/1015936258.db2.gz LHRWQTUWSMBPBR-VAMGGRTRSA-N 2 2 364.493 2.643 20 30 FFEDLP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001054053065 1015936267 /nfs/dbraw/zinc/93/62/67/1015936267.db2.gz LHRWQTUWSMBPBR-VAMGGRTRSA-N 2 2 364.493 2.643 20 30 FFEDLP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000822658621 998909755 /nfs/dbraw/zinc/90/97/55/998909755.db2.gz CKELTAXZDIBDCM-IBGZPJMESA-N 2 2 365.481 2.652 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001085382832 999430317 /nfs/dbraw/zinc/43/03/17/999430317.db2.gz YYZBEHCIWWIGNN-HZPDHXFCSA-N 2 2 359.861 2.650 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000846837383 1000455556 /nfs/dbraw/zinc/45/55/56/1000455556.db2.gz ZCCVFYPFCYRRCR-ROUUACIJSA-N 2 2 365.481 2.853 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000846837383 1000455560 /nfs/dbraw/zinc/45/55/60/1000455560.db2.gz ZCCVFYPFCYRRCR-ROUUACIJSA-N 2 2 365.481 2.853 20 30 FFEDLP N#CC1(Nc2nc(Cl)nc3c2C[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC001171273865 1000632087 /nfs/dbraw/zinc/63/20/87/1000632087.db2.gz CXZPJNKHKUQIGG-UHFFFAOYSA-N 2 2 368.872 2.703 20 30 FFEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001091889889 1001995050 /nfs/dbraw/zinc/99/50/50/1001995050.db2.gz WGCKHQZEZGIEGW-NQIIRXRSSA-N 2 2 350.466 2.842 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC001091889889 1001995060 /nfs/dbraw/zinc/99/50/60/1001995060.db2.gz WGCKHQZEZGIEGW-NQIIRXRSSA-N 2 2 350.466 2.842 20 30 FFEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086608932 1003168767 /nfs/dbraw/zinc/16/87/67/1003168767.db2.gz HNTDLZYEWGDPJN-JENIJYKNSA-N 2 2 350.466 2.600 20 30 FFEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086608932 1003168772 /nfs/dbraw/zinc/16/87/72/1003168772.db2.gz HNTDLZYEWGDPJN-JENIJYKNSA-N 2 2 350.466 2.600 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001186203236 1003222010 /nfs/dbraw/zinc/22/20/10/1003222010.db2.gz IBCKMCMNPZKATQ-IEBWSBKVSA-N 2 2 370.472 2.808 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001186203236 1003222015 /nfs/dbraw/zinc/22/20/15/1003222015.db2.gz IBCKMCMNPZKATQ-IEBWSBKVSA-N 2 2 370.472 2.808 20 30 FFEDLP C=CC[N@@H+](CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)CCOC ZINC001193990748 1004623047 /nfs/dbraw/zinc/62/30/47/1004623047.db2.gz QIAQETVISWXSJY-UHFFFAOYSA-N 2 2 351.922 2.987 20 30 FFEDLP C=CC[N@H+](CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)CCOC ZINC001193990748 1004623052 /nfs/dbraw/zinc/62/30/52/1004623052.db2.gz QIAQETVISWXSJY-UHFFFAOYSA-N 2 2 351.922 2.987 20 30 FFEDLP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1OC ZINC001198759658 1004732273 /nfs/dbraw/zinc/73/22/73/1004732273.db2.gz JNOZPIZZUQXHJT-NUJGCVRESA-N 2 2 354.454 2.545 20 30 FFEDLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C)n1cc[nH+]c1 ZINC001489292446 1005450735 /nfs/dbraw/zinc/45/07/35/1005450735.db2.gz AYLFXQCGYCJBKR-VBQJREDUSA-N 2 2 357.483 2.547 20 30 FFEDLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C)n1cc[nH+]c1 ZINC001489292446 1005450736 /nfs/dbraw/zinc/45/07/36/1005450736.db2.gz AYLFXQCGYCJBKR-VBQJREDUSA-N 2 2 357.483 2.547 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095695426 1017006332 /nfs/dbraw/zinc/00/63/32/1017006332.db2.gz ZZRHDHBJTFSDKF-GIVPXCGWSA-N 2 2 371.444 2.741 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188368901 1006532415 /nfs/dbraw/zinc/53/24/15/1006532415.db2.gz BSXUTLWRSTYLRR-WSTZPKSXSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188368901 1006532422 /nfs/dbraw/zinc/53/24/22/1006532422.db2.gz BSXUTLWRSTYLRR-WSTZPKSXSA-N 2 2 356.514 2.725 20 30 FFEDLP C#C[C@H](NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000820583047 1008351274 /nfs/dbraw/zinc/35/12/74/1008351274.db2.gz DVZHHHVVQYBWQE-NRFANRHFSA-N 2 2 368.525 2.563 20 30 FFEDLP C#C[C@H](NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000820583047 1008351277 /nfs/dbraw/zinc/35/12/77/1008351277.db2.gz DVZHHHVVQYBWQE-NRFANRHFSA-N 2 2 368.525 2.563 20 30 FFEDLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 ZINC000886358213 1008648947 /nfs/dbraw/zinc/64/89/47/1008648947.db2.gz RGKGMCZJALARDS-CTNGQTDRSA-N 2 2 357.498 2.554 20 30 FFEDLP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093373486 1010233079 /nfs/dbraw/zinc/23/30/79/1010233079.db2.gz NJTZTFPOUUELKJ-QWFCFKBJSA-N 2 2 366.509 2.630 20 30 FFEDLP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093373486 1010233086 /nfs/dbraw/zinc/23/30/86/1010233086.db2.gz NJTZTFPOUUELKJ-QWFCFKBJSA-N 2 2 366.509 2.630 20 30 FFEDLP CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093373486 1010233093 /nfs/dbraw/zinc/23/30/93/1010233093.db2.gz NJTZTFPOUUELKJ-QWFCFKBJSA-N 2 2 366.509 2.630 20 30 FFEDLP CC#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093373486 1010233102 /nfs/dbraw/zinc/23/31/02/1010233102.db2.gz NJTZTFPOUUELKJ-QWFCFKBJSA-N 2 2 366.509 2.630 20 30 FFEDLP C#Cc1cccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000865594646 1010823707 /nfs/dbraw/zinc/82/37/07/1010823707.db2.gz YCEWSGKTFWBILX-UHFFFAOYSA-N 2 2 350.462 2.669 20 30 FFEDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(C#N)c3O)cn2)CC1 ZINC000866235407 1010957894 /nfs/dbraw/zinc/95/78/94/1010957894.db2.gz CINHABHFVMEOGW-MRXNPFEDSA-N 2 2 365.481 2.652 20 30 FFEDLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C#N)c1O ZINC000866338025 1010979355 /nfs/dbraw/zinc/97/93/55/1010979355.db2.gz WIVOBIFAMIYKJG-KXBFYZLASA-N 2 2 351.450 2.681 20 30 FFEDLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C#N)c1O ZINC000866338025 1010979358 /nfs/dbraw/zinc/97/93/58/1010979358.db2.gz WIVOBIFAMIYKJG-KXBFYZLASA-N 2 2 351.450 2.681 20 30 FFEDLP CCCCCCCCCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275094473 1011925598 /nfs/dbraw/zinc/92/55/98/1011925598.db2.gz YBCSRBXYGVBKEJ-UHFFFAOYSA-N 2 2 367.578 2.992 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000303778961 1012428183 /nfs/dbraw/zinc/42/81/83/1012428183.db2.gz KEMOFXJHSGGYHX-KRWDZBQOSA-N 2 2 360.433 2.872 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CC[N@@H+](C4CCCC4)C3)CC2)cc1 ZINC001173428999 1012589954 /nfs/dbraw/zinc/58/99/54/1012589954.db2.gz ZHXNPYPRRQSPJD-HXUWFJFHSA-N 2 2 366.509 2.769 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC001173428999 1012589973 /nfs/dbraw/zinc/58/99/73/1012589973.db2.gz ZHXNPYPRRQSPJD-HXUWFJFHSA-N 2 2 366.509 2.769 20 30 FFEDLP C=C(C)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cccc2C1 ZINC001051291033 1017270886 /nfs/dbraw/zinc/27/08/86/1017270886.db2.gz YCUYSELPZGMXPF-RTBURBONSA-N 2 2 350.466 2.764 20 30 FFEDLP C=C(C)C[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cccc2C1 ZINC001051291033 1017270890 /nfs/dbraw/zinc/27/08/90/1017270890.db2.gz YCUYSELPZGMXPF-RTBURBONSA-N 2 2 350.466 2.764 20 30 FFEDLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001097551038 1017634919 /nfs/dbraw/zinc/63/49/19/1017634919.db2.gz VERNIZFNNDXNQU-FCEUIQTBSA-N 2 2 370.456 2.721 20 30 FFEDLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001097551038 1017634925 /nfs/dbraw/zinc/63/49/25/1017634925.db2.gz VERNIZFNNDXNQU-FCEUIQTBSA-N 2 2 370.456 2.721 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001045968452 1020375910 /nfs/dbraw/zinc/37/59/10/1020375910.db2.gz PCZORRNHSBVXOC-OPYAIIAOSA-N 2 2 356.514 2.804 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001045968452 1020375924 /nfs/dbraw/zinc/37/59/24/1020375924.db2.gz PCZORRNHSBVXOC-OPYAIIAOSA-N 2 2 356.514 2.804 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCN4CCSC[C@@H]34)CC2)cc1 ZINC000903270207 1020771784 /nfs/dbraw/zinc/77/17/84/1020771784.db2.gz BTKXXSVOENJCSV-SFTDATJTSA-N 2 2 370.566 2.692 20 30 FFEDLP CN(C)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(F)c1C#N ZINC001222608974 1033072595 /nfs/dbraw/zinc/07/25/95/1033072595.db2.gz KFMVSAAUBKGEFA-LJQANCHMSA-N 2 2 364.468 2.952 20 30 FFEDLP CN(C)c1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(F)c1C#N ZINC001222608974 1033072606 /nfs/dbraw/zinc/07/26/06/1033072606.db2.gz KFMVSAAUBKGEFA-LJQANCHMSA-N 2 2 364.468 2.952 20 30 FFEDLP C#CCOc1ccccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779225477 1023389093 /nfs/dbraw/zinc/38/90/93/1023389093.db2.gz SFNSKGVEOBRRSV-HSZRJFAPSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779225477 1023389098 /nfs/dbraw/zinc/38/90/98/1023389098.db2.gz SFNSKGVEOBRRSV-HSZRJFAPSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779225477 1023389105 /nfs/dbraw/zinc/38/91/05/1023389105.db2.gz SFNSKGVEOBRRSV-HSZRJFAPSA-N 2 2 364.489 2.767 20 30 FFEDLP C#CCOc1ccccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779225477 1023389110 /nfs/dbraw/zinc/38/91/10/1023389110.db2.gz SFNSKGVEOBRRSV-HSZRJFAPSA-N 2 2 364.489 2.767 20 30 FFEDLP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000948962883 1023424531 /nfs/dbraw/zinc/42/45/31/1023424531.db2.gz SBZATYKNUUOAQX-SBHAEUEKSA-N 2 2 364.493 2.815 20 30 FFEDLP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000948962883 1023424535 /nfs/dbraw/zinc/42/45/35/1023424535.db2.gz SBZATYKNUUOAQX-SBHAEUEKSA-N 2 2 364.493 2.815 20 30 FFEDLP Cc1cc(C#N)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)s1 ZINC001218554437 1033218845 /nfs/dbraw/zinc/21/88/45/1033218845.db2.gz JHMCZNNGYMVXRH-QGZVFWFLSA-N 2 2 366.490 2.588 20 30 FFEDLP Cc1cc(C#N)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)s1 ZINC001218554437 1033218853 /nfs/dbraw/zinc/21/88/53/1033218853.db2.gz JHMCZNNGYMVXRH-QGZVFWFLSA-N 2 2 366.490 2.588 20 30 FFEDLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413277 1025926492 /nfs/dbraw/zinc/92/64/92/1025926492.db2.gz AHKZCEOAXKKRJE-SFHLNBCPSA-N 2 2 364.493 2.570 20 30 FFEDLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413277 1025926504 /nfs/dbraw/zinc/92/65/04/1025926504.db2.gz AHKZCEOAXKKRJE-SFHLNBCPSA-N 2 2 364.493 2.570 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760533 1028154269 /nfs/dbraw/zinc/15/42/69/1028154269.db2.gz RGZOSATXEMQRKR-OLMNPRSZSA-N 2 2 364.921 2.511 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760533 1028154276 /nfs/dbraw/zinc/15/42/76/1028154276.db2.gz RGZOSATXEMQRKR-OLMNPRSZSA-N 2 2 364.921 2.511 20 30 FFEDLP COc1cc[nH+]c(C(C)(C)CNc2ncc3c(c2C#N)CCC[NH2+]C3)c1 ZINC001162128916 1028444653 /nfs/dbraw/zinc/44/46/53/1028444653.db2.gz XFOQRAHUKSQORF-UHFFFAOYSA-N 2 2 351.454 2.782 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1c1ccc(F)cc1 ZINC001205325737 1031672308 /nfs/dbraw/zinc/67/23/08/1031672308.db2.gz GFFGOFJXWNYEJI-AZUAARDMSA-N 2 2 370.472 2.950 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205692207 1031940035 /nfs/dbraw/zinc/94/00/35/1031940035.db2.gz OFHOXRRTIQIJPK-XKGZKEIXSA-N 2 2 370.472 2.961 20 30 FFEDLP N#Cc1ccc(-c2ccccc2NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)nc1 ZINC001219422948 1033641128 /nfs/dbraw/zinc/64/11/28/1033641128.db2.gz SKSQQJRRDUKRLN-SFHVURJKSA-N 2 2 357.417 2.831 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853107 1033851608 /nfs/dbraw/zinc/85/16/08/1033851608.db2.gz FZQMCNCFVATEHL-QYZOEREBSA-N 2 2 364.534 2.602 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853107 1033851621 /nfs/dbraw/zinc/85/16/21/1033851621.db2.gz FZQMCNCFVATEHL-QYZOEREBSA-N 2 2 364.534 2.602 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001141024901 1036750119 /nfs/dbraw/zinc/75/01/19/1036750119.db2.gz AMRWSAAAVCWHPB-UHFFFAOYSA-N 2 2 366.509 2.732 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207014733 1037056683 /nfs/dbraw/zinc/05/66/83/1037056683.db2.gz GIDJANGICKAUKB-IEBWSBKVSA-N 2 2 358.530 2.945 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001207014733 1037056703 /nfs/dbraw/zinc/05/67/03/1037056703.db2.gz GIDJANGICKAUKB-IEBWSBKVSA-N 2 2 358.530 2.945 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208859473 1038560630 /nfs/dbraw/zinc/56/06/30/1038560630.db2.gz QBACXJCLOSAZFS-FGZHOGPDSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208859473 1038560637 /nfs/dbraw/zinc/56/06/37/1038560637.db2.gz QBACXJCLOSAZFS-FGZHOGPDSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208859473 1038560645 /nfs/dbraw/zinc/56/06/45/1038560645.db2.gz QBACXJCLOSAZFS-FGZHOGPDSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCc4ccc(C#N)cc4)C[C@@H]3C2)cn1 ZINC001208859473 1038560654 /nfs/dbraw/zinc/56/06/54/1038560654.db2.gz QBACXJCLOSAZFS-FGZHOGPDSA-N 2 2 363.509 2.678 20 30 FFEDLP N#C[C@@H]1C[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CCN1 ZINC001246423658 1039350435 /nfs/dbraw/zinc/35/04/35/1039350435.db2.gz QLUKVNICFJWDHE-CVEARBPZSA-N 2 2 352.404 2.518 20 30 FFEDLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC001279225708 1042952520 /nfs/dbraw/zinc/95/25/20/1042952520.db2.gz DLPLADUXOQUGLV-UHFFFAOYSA-N 2 2 358.505 2.937 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)c(C#N)c4)C[C@H]3C2)cn1 ZINC001238191098 1043600358 /nfs/dbraw/zinc/60/03/58/1043600358.db2.gz PRHTVKZTZTWJAW-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)c(C#N)c4)C[C@H]3C2)cn1 ZINC001238191098 1043600363 /nfs/dbraw/zinc/60/03/63/1043600363.db2.gz PRHTVKZTZTWJAW-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(Cl)c(C#N)c4)C[C@H]3C2)cn1 ZINC001238191098 1043600373 /nfs/dbraw/zinc/60/03/73/1043600373.db2.gz PRHTVKZTZTWJAW-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)c(C#N)c4)C[C@H]3C2)cn1 ZINC001238191098 1043600379 /nfs/dbraw/zinc/60/03/79/1043600379.db2.gz PRHTVKZTZTWJAW-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP CCc1cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)ccc1C#N ZINC001238768858 1043882201 /nfs/dbraw/zinc/88/22/01/1043882201.db2.gz NIUJKERUHJXGBT-FQEVSTJZSA-N 2 2 369.509 2.970 20 30 FFEDLP CCc1cc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)ccc1C#N ZINC001238768858 1043882212 /nfs/dbraw/zinc/88/22/12/1043882212.db2.gz NIUJKERUHJXGBT-FQEVSTJZSA-N 2 2 369.509 2.970 20 30 FFEDLP CCCCCCCCCCS(=O)(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001239160971 1044053163 /nfs/dbraw/zinc/05/31/63/1044053163.db2.gz IVSKYRYLUARCBQ-LJQANCHMSA-N 2 2 373.607 2.954 20 30 FFEDLP C=CCCC[NH+]1CC2(C1)CCOC[C@@H]2C(=O)Nc1cccc2[nH+]ccn21 ZINC001280121256 1044250458 /nfs/dbraw/zinc/25/04/58/1044250458.db2.gz QTMHAPBUYHCABW-MRXNPFEDSA-N 2 2 354.454 2.578 20 30 FFEDLP CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC#N)CC3)[C@H]2C1 ZINC001280181413 1044361696 /nfs/dbraw/zinc/36/16/96/1044361696.db2.gz OGLIYYWAGHYDBR-QYZOEREBSA-N 2 2 360.546 2.629 20 30 FFEDLP CCCC[C@@H](CC)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC#N)CC3)[C@H]2C1 ZINC001280181413 1044361707 /nfs/dbraw/zinc/36/17/07/1044361707.db2.gz OGLIYYWAGHYDBR-QYZOEREBSA-N 2 2 360.546 2.629 20 30 FFEDLP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001316713886 1044820982 /nfs/dbraw/zinc/82/09/82/1044820982.db2.gz MEZIMAMPBGYPLG-UYAOXDASSA-N 2 2 370.541 2.782 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001316738209 1044880492 /nfs/dbraw/zinc/88/04/92/1044880492.db2.gz DUXWNGPWXBRRAZ-LSTHTHJFSA-N 2 2 365.481 2.875 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001316738209 1044880515 /nfs/dbraw/zinc/88/05/15/1044880515.db2.gz DUXWNGPWXBRRAZ-LSTHTHJFSA-N 2 2 365.481 2.875 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CCC(=O)Nc3cccnc3)CC2)c1 ZINC001335460973 1053379105 /nfs/dbraw/zinc/37/91/05/1053379105.db2.gz SOJLLEDMYFZTKO-UHFFFAOYSA-N 2 2 363.465 2.536 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001515995627 1059921207 /nfs/dbraw/zinc/92/12/07/1059921207.db2.gz BYWGGFSQZAOOQA-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001515995627 1059921223 /nfs/dbraw/zinc/92/12/23/1059921223.db2.gz BYWGGFSQZAOOQA-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001479452002 1062416162 /nfs/dbraw/zinc/41/61/62/1062416162.db2.gz JAPVRSXDGZWZKS-FRQCXROJSA-N 2 2 359.518 2.631 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001479452002 1062416176 /nfs/dbraw/zinc/41/61/76/1062416176.db2.gz JAPVRSXDGZWZKS-FRQCXROJSA-N 2 2 359.518 2.631 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001479625823 1062638662 /nfs/dbraw/zinc/63/86/62/1062638662.db2.gz ONFDDBIYSJYLGE-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001479625823 1062638672 /nfs/dbraw/zinc/63/86/72/1062638672.db2.gz ONFDDBIYSJYLGE-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001571271080 1077245554 /nfs/dbraw/zinc/24/55/54/1077245554.db2.gz PYTKIQBDZOSRDT-KBRIMQKVSA-N 2 2 369.444 2.599 20 30 FFEDLP C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571271080 1077245555 /nfs/dbraw/zinc/24/55/55/1077245555.db2.gz PYTKIQBDZOSRDT-KBRIMQKVSA-N 2 2 369.444 2.599 20 30 FFEDLP C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC001588741517 1080177422 /nfs/dbraw/zinc/17/74/22/1080177422.db2.gz CYVAQGXQAPGYCO-IBGZPJMESA-N 2 2 374.577 2.523 20 30 FFEDLP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000332144730 258215935 /nfs/dbraw/zinc/21/59/35/258215935.db2.gz SMJZEILYAJFMIM-GQIGUUNPSA-N 2 2 370.497 2.956 20 30 FFEDLP C[C@@H]1C[N@H+](CC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000332144730 258215936 /nfs/dbraw/zinc/21/59/36/258215936.db2.gz SMJZEILYAJFMIM-GQIGUUNPSA-N 2 2 370.497 2.956 20 30 FFEDLP C[C@@H]1C[NH+](CC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000332144734 258216088 /nfs/dbraw/zinc/21/60/88/258216088.db2.gz SMJZEILYAJFMIM-JXXFODFXSA-N 2 2 370.497 2.956 20 30 FFEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1C#N ZINC000366899899 512240034 /nfs/dbraw/zinc/24/00/34/512240034.db2.gz IWAZMOSMSUCPCI-UZLBHIALSA-N 2 2 350.466 2.962 20 30 FFEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1C#N ZINC000366899899 512240036 /nfs/dbraw/zinc/24/00/36/512240036.db2.gz IWAZMOSMSUCPCI-UZLBHIALSA-N 2 2 350.466 2.962 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CC1 ZINC000050026799 507652620 /nfs/dbraw/zinc/65/26/20/507652620.db2.gz PLNDTANCIKWSMN-UHFFFAOYSA-N 2 2 360.527 2.659 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000090107144 507908757 /nfs/dbraw/zinc/90/87/57/507908757.db2.gz GZBHXUBIGZDKTP-UWJYYQICSA-N 2 2 350.466 2.832 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000090107144 507908759 /nfs/dbraw/zinc/90/87/59/507908759.db2.gz GZBHXUBIGZDKTP-UWJYYQICSA-N 2 2 350.466 2.832 20 30 FFEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109795 508159867 /nfs/dbraw/zinc/15/98/67/508159867.db2.gz RMCREANDJMXKEK-FQEVSTJZSA-N 2 2 368.525 2.783 20 30 FFEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109795 508159870 /nfs/dbraw/zinc/15/98/70/508159870.db2.gz RMCREANDJMXKEK-FQEVSTJZSA-N 2 2 368.525 2.783 20 30 FFEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109795 508159873 /nfs/dbraw/zinc/15/98/73/508159873.db2.gz RMCREANDJMXKEK-FQEVSTJZSA-N 2 2 368.525 2.783 20 30 FFEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109795 508159876 /nfs/dbraw/zinc/15/98/76/508159876.db2.gz RMCREANDJMXKEK-FQEVSTJZSA-N 2 2 368.525 2.783 20 30 FFEDLP CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108998 508160340 /nfs/dbraw/zinc/16/03/40/508160340.db2.gz YPNSSDWLJCDALC-NRFANRHFSA-N 2 2 371.529 2.674 20 30 FFEDLP CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108998 508160342 /nfs/dbraw/zinc/16/03/42/508160342.db2.gz YPNSSDWLJCDALC-NRFANRHFSA-N 2 2 371.529 2.674 20 30 FFEDLP C[NH+]1CCC(CNC(=O)/C=C/c2ccccc2C#N)([NH+]2CCCCC2)CC1 ZINC000172752386 509213329 /nfs/dbraw/zinc/21/33/29/509213329.db2.gz LBHMMKRJXIPKCH-MDZDMXLPSA-N 2 2 366.509 2.638 20 30 FFEDLP C=CCOc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000172752233 509213380 /nfs/dbraw/zinc/21/33/80/509213380.db2.gz QUYDMEGAIPTEFK-UHFFFAOYSA-N 2 2 371.525 2.932 20 30 FFEDLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000173617332 509678604 /nfs/dbraw/zinc/67/86/04/509678604.db2.gz KFTARGZOKKSFES-MRXNPFEDSA-N 2 2 360.477 2.923 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000177907643 510319395 /nfs/dbraw/zinc/31/93/95/510319395.db2.gz RTVKPIVVSRZNHU-MRXNPFEDSA-N 2 2 363.527 2.528 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000171707726 510320716 /nfs/dbraw/zinc/32/07/16/510320716.db2.gz RBWAYAFTVFZZNX-UHFFFAOYSA-N 2 2 357.502 2.522 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000171736970 510339323 /nfs/dbraw/zinc/33/93/23/510339323.db2.gz ZBJBCIZWZLXWDY-RMKNXTFCSA-N 2 2 368.525 2.677 20 30 FFEDLP C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000187775240 510428440 /nfs/dbraw/zinc/42/84/40/510428440.db2.gz VHGUPNHZFYKCKT-RDTXWAMCSA-N 2 2 351.441 2.724 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246885230 510726427 /nfs/dbraw/zinc/72/64/27/510726427.db2.gz QRVNRKHWGFCZAP-LMMKCTJWSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246885230 510726435 /nfs/dbraw/zinc/72/64/35/510726435.db2.gz QRVNRKHWGFCZAP-LMMKCTJWSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246885230 510726449 /nfs/dbraw/zinc/72/64/49/510726449.db2.gz QRVNRKHWGFCZAP-LMMKCTJWSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266733713 510756141 /nfs/dbraw/zinc/75/61/41/510756141.db2.gz KBHJLHVXPHSTLS-LFDOHDQPSA-N 2 2 357.502 2.908 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000270343253 510769502 /nfs/dbraw/zinc/76/95/02/510769502.db2.gz OGYXBJMDHJHQJL-DYESRHJHSA-N 2 2 365.481 2.618 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000270343253 510769512 /nfs/dbraw/zinc/76/95/12/510769512.db2.gz OGYXBJMDHJHQJL-DYESRHJHSA-N 2 2 365.481 2.618 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000278521915 510997504 /nfs/dbraw/zinc/99/75/04/510997504.db2.gz CRISYNRTPLVFAK-QGZVFWFLSA-N 2 2 370.497 2.964 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292081800 511458373 /nfs/dbraw/zinc/45/83/73/511458373.db2.gz FSFMEULEKYKVKU-RXVVDRJESA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292081800 511458379 /nfs/dbraw/zinc/45/83/79/511458379.db2.gz FSFMEULEKYKVKU-RXVVDRJESA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292081800 511458385 /nfs/dbraw/zinc/45/83/85/511458385.db2.gz FSFMEULEKYKVKU-RXVVDRJESA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292081800 511458388 /nfs/dbraw/zinc/45/83/88/511458388.db2.gz FSFMEULEKYKVKU-RXVVDRJESA-N 2 2 354.498 2.658 20 30 FFEDLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328755091 511926891 /nfs/dbraw/zinc/92/68/91/511926891.db2.gz FCFMUVLWYBVROX-BBWFWOEESA-N 2 2 361.534 2.880 20 30 FFEDLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000328755091 511926896 /nfs/dbraw/zinc/92/68/96/511926896.db2.gz FCFMUVLWYBVROX-BBWFWOEESA-N 2 2 361.534 2.880 20 30 FFEDLP C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366308109 511950901 /nfs/dbraw/zinc/95/09/01/511950901.db2.gz HEGRUMSOPYAHFS-FQEVSTJZSA-N 2 2 370.541 2.943 20 30 FFEDLP C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366308109 511950905 /nfs/dbraw/zinc/95/09/05/511950905.db2.gz HEGRUMSOPYAHFS-FQEVSTJZSA-N 2 2 370.541 2.943 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000366495312 512054729 /nfs/dbraw/zinc/05/47/29/512054729.db2.gz FNKRFDMPLPDADG-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000366495312 512054735 /nfs/dbraw/zinc/05/47/35/512054735.db2.gz FNKRFDMPLPDADG-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000366495312 512054738 /nfs/dbraw/zinc/05/47/38/512054738.db2.gz FNKRFDMPLPDADG-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000366495312 512054744 /nfs/dbraw/zinc/05/47/44/512054744.db2.gz FNKRFDMPLPDADG-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP C[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H]1[NH+](C)C ZINC000329769068 512095177 /nfs/dbraw/zinc/09/51/77/512095177.db2.gz HITXYSSKZRTKJZ-DZGCQCFKSA-N 2 2 351.520 2.556 20 30 FFEDLP C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411141983 512487911 /nfs/dbraw/zinc/48/79/11/512487911.db2.gz WHNVXKUIWIWGTG-QGZVFWFLSA-N 2 2 370.522 2.868 20 30 FFEDLP C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411141983 512487915 /nfs/dbraw/zinc/48/79/15/512487915.db2.gz WHNVXKUIWIWGTG-QGZVFWFLSA-N 2 2 370.522 2.868 20 30 FFEDLP C=CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369964070 512702480 /nfs/dbraw/zinc/70/24/80/512702480.db2.gz JWTSYAONEHPBKB-RTWAWAEBSA-N 2 2 355.526 2.973 20 30 FFEDLP C=CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369964070 512702483 /nfs/dbraw/zinc/70/24/83/512702483.db2.gz JWTSYAONEHPBKB-RTWAWAEBSA-N 2 2 355.526 2.973 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000370725955 513072119 /nfs/dbraw/zinc/07/21/19/513072119.db2.gz XDHMWTRMZQANCI-AWEZNQCLSA-N 2 2 357.845 2.763 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000370725955 513072121 /nfs/dbraw/zinc/07/21/21/513072121.db2.gz XDHMWTRMZQANCI-AWEZNQCLSA-N 2 2 357.845 2.763 20 30 FFEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cn4ccccc4c3C#N)CC2)CC1 ZINC000441042495 513468127 /nfs/dbraw/zinc/46/81/27/513468127.db2.gz FGEMTCXAJJVUGE-UHFFFAOYSA-N 2 2 365.525 2.801 20 30 FFEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)CC1 ZINC000441042495 513468132 /nfs/dbraw/zinc/46/81/32/513468132.db2.gz FGEMTCXAJJVUGE-UHFFFAOYSA-N 2 2 365.525 2.801 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nn1 ZINC000424296458 514448837 /nfs/dbraw/zinc/44/88/37/514448837.db2.gz OOWRBIZCXHAPAX-PWRODBHTSA-N 2 2 351.498 2.997 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nn1 ZINC000424296458 514448839 /nfs/dbraw/zinc/44/88/39/514448839.db2.gz OOWRBIZCXHAPAX-PWRODBHTSA-N 2 2 351.498 2.997 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471004336 514713372 /nfs/dbraw/zinc/71/33/72/514713372.db2.gz CFQSALGFQSPSLB-DZFGPLHGSA-N 2 2 374.488 2.949 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471004336 514713379 /nfs/dbraw/zinc/71/33/79/514713379.db2.gz CFQSALGFQSPSLB-DZFGPLHGSA-N 2 2 374.488 2.949 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471004336 514713387 /nfs/dbraw/zinc/71/33/87/514713387.db2.gz CFQSALGFQSPSLB-DZFGPLHGSA-N 2 2 374.488 2.949 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471004336 514713395 /nfs/dbraw/zinc/71/33/95/514713395.db2.gz CFQSALGFQSPSLB-DZFGPLHGSA-N 2 2 374.488 2.949 20 30 FFEDLP C=CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489716993 514949616 /nfs/dbraw/zinc/94/96/16/514949616.db2.gz OCRUUZUEUYESQK-RBUKOAKNSA-N 2 2 371.591 2.551 20 30 FFEDLP C=CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489716993 514949625 /nfs/dbraw/zinc/94/96/25/514949625.db2.gz OCRUUZUEUYESQK-RBUKOAKNSA-N 2 2 371.591 2.551 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852444 515088942 /nfs/dbraw/zinc/08/89/42/515088942.db2.gz HPMFWIDTUYFITM-IRFCIJBXSA-N 2 2 362.562 2.873 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852444 515088953 /nfs/dbraw/zinc/08/89/53/515088953.db2.gz HPMFWIDTUYFITM-IRFCIJBXSA-N 2 2 362.562 2.873 20 30 FFEDLP C[C@H](CC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000476537302 515091517 /nfs/dbraw/zinc/09/15/17/515091517.db2.gz BQDKTWKNARYLNS-OXQOHEQNSA-N 2 2 350.466 2.585 20 30 FFEDLP C[C@H](CC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000476537302 515091524 /nfs/dbraw/zinc/09/15/24/515091524.db2.gz BQDKTWKNARYLNS-OXQOHEQNSA-N 2 2 350.466 2.585 20 30 FFEDLP C=CCNC(=O)C[NH+]1CCN(c2c3ccccc3[nH+]c(C)c2CC)CC1 ZINC000477059867 515308537 /nfs/dbraw/zinc/30/85/37/515308537.db2.gz NBQGNGPXWSPHBE-UHFFFAOYSA-N 2 2 352.482 2.530 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528480858 516469638 /nfs/dbraw/zinc/46/96/38/516469638.db2.gz INSOXMVJCUOEOL-GOSISDBHSA-N 2 2 367.449 2.545 20 30 FFEDLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000536683449 516892559 /nfs/dbraw/zinc/89/25/59/516892559.db2.gz LOLLTEIQRMYGNB-UHFFFAOYSA-N 2 2 370.522 2.882 20 30 FFEDLP N#Cc1cccc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)c1 ZINC000532890106 517189723 /nfs/dbraw/zinc/18/97/23/517189723.db2.gz UJVHEHNOOSQZRF-UHFFFAOYSA-N 2 2 361.449 2.921 20 30 FFEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000563154421 517697626 /nfs/dbraw/zinc/69/76/26/517697626.db2.gz NZSOUWWYMBYJIL-MRXNPFEDSA-N 2 2 360.465 2.916 20 30 FFEDLP N#Cc1cnn2cc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cnc12 ZINC000569605240 518204990 /nfs/dbraw/zinc/20/49/90/518204990.db2.gz GYWWFNWCOZHTTC-PZJWPPBQSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cnc12 ZINC000569605240 518204991 /nfs/dbraw/zinc/20/49/91/518204991.db2.gz GYWWFNWCOZHTTC-PZJWPPBQSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cnc12 ZINC000569605240 518204993 /nfs/dbraw/zinc/20/49/93/518204993.db2.gz GYWWFNWCOZHTTC-PZJWPPBQSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cnc12 ZINC000569605240 518204995 /nfs/dbraw/zinc/20/49/95/518204995.db2.gz GYWWFNWCOZHTTC-PZJWPPBQSA-N 2 2 372.476 2.555 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000567710823 518669190 /nfs/dbraw/zinc/66/91/90/518669190.db2.gz SUKIZWBSRDZSSW-UCNVEGJOSA-N 2 2 367.493 2.773 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000565159316 518815859 /nfs/dbraw/zinc/81/58/59/518815859.db2.gz XSYPRFGJZJAGNC-NRFANRHFSA-N 2 2 360.465 2.706 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000565159316 518815870 /nfs/dbraw/zinc/81/58/70/518815870.db2.gz XSYPRFGJZJAGNC-NRFANRHFSA-N 2 2 360.465 2.706 20 30 FFEDLP C[NH+](Cc1ccc(C#N)cn1)[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000565159316 518815880 /nfs/dbraw/zinc/81/58/80/518815880.db2.gz XSYPRFGJZJAGNC-NRFANRHFSA-N 2 2 360.465 2.706 20 30 FFEDLP C[NH+](Cc1ccc(C#N)cn1)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000565159316 518815887 /nfs/dbraw/zinc/81/58/87/518815887.db2.gz XSYPRFGJZJAGNC-NRFANRHFSA-N 2 2 360.465 2.706 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423298 519072384 /nfs/dbraw/zinc/07/23/84/519072384.db2.gz FFOURWJTSAUVIK-DLBZAZTESA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423298 519072385 /nfs/dbraw/zinc/07/23/85/519072385.db2.gz FFOURWJTSAUVIK-DLBZAZTESA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423298 519072391 /nfs/dbraw/zinc/07/23/91/519072391.db2.gz FFOURWJTSAUVIK-DLBZAZTESA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423298 519072395 /nfs/dbraw/zinc/07/23/95/519072395.db2.gz FFOURWJTSAUVIK-DLBZAZTESA-N 2 2 362.543 2.571 20 30 FFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000574946680 519415838 /nfs/dbraw/zinc/41/58/38/519415838.db2.gz SWKPRTKLJGIMAY-QFIPXVFZSA-N 3 2 361.493 2.742 20 30 FFEDLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1nc(C#N)cs1 ZINC000603428156 520262478 /nfs/dbraw/zinc/26/24/78/520262478.db2.gz KPQKQDSSWMAJHC-UHFFFAOYSA-N 2 2 354.483 2.740 20 30 FFEDLP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595044841 520268758 /nfs/dbraw/zinc/26/87/58/520268758.db2.gz GGXPVFMPEQBAIL-JOCHJYFZSA-N 2 2 371.525 2.944 20 30 FFEDLP CCC(CC)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000600725762 520426973 /nfs/dbraw/zinc/42/69/73/520426973.db2.gz KBJUDLAINBSETN-RBUKOAKNSA-N 2 2 351.535 2.548 20 30 FFEDLP C[C@@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000600736397 520435453 /nfs/dbraw/zinc/43/54/53/520435453.db2.gz YIGPVWZEITVEFA-RTWAWAEBSA-N 2 2 371.525 2.702 20 30 FFEDLP C[C@@]1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000600736397 520435458 /nfs/dbraw/zinc/43/54/58/520435458.db2.gz YIGPVWZEITVEFA-RTWAWAEBSA-N 2 2 371.525 2.702 20 30 FFEDLP N#CC1(C[C@H](O)C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCOCC1 ZINC000600736145 520435927 /nfs/dbraw/zinc/43/59/27/520435927.db2.gz QPOHEECXBKCNTK-IBGZPJMESA-N 2 2 363.546 2.694 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(Nc3ncc(C#N)c4ccsc43)CC2)CC1 ZINC000601109495 520639648 /nfs/dbraw/zinc/63/96/48/520639648.db2.gz QYJAGVMYQKSMKV-UHFFFAOYSA-N 2 2 355.511 2.560 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000602021558 521082403 /nfs/dbraw/zinc/08/24/03/521082403.db2.gz PNRHBRMFQIZVTA-UHFFFAOYSA-N 3 2 360.505 2.958 20 30 FFEDLP CCC1([NH+]2CCOCC2)CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000599668077 521381747 /nfs/dbraw/zinc/38/17/47/521381747.db2.gz BRARYCIWEMZXCF-UHFFFAOYSA-N 2 2 373.497 2.522 20 30 FFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000602569698 521415671 /nfs/dbraw/zinc/41/56/71/521415671.db2.gz RKVYAQVDBOKYDA-LJQANCHMSA-N 2 2 363.546 2.958 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001105070999 971454856 /nfs/dbraw/zinc/45/48/56/971454856.db2.gz IFRZJKFWGKVHHR-MISYRCLQSA-N 2 2 358.530 2.725 20 30 FFEDLP C=CC[C@H]1N(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1(C)C ZINC000683559612 961038499 /nfs/dbraw/zinc/03/84/99/961038499.db2.gz PHXWWJJMFRSSBI-PKOBYXMFSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[C@H]1N(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1(C)C ZINC000683559612 961038516 /nfs/dbraw/zinc/03/85/16/961038516.db2.gz PHXWWJJMFRSSBI-PKOBYXMFSA-N 2 2 362.562 2.931 20 30 FFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001095428411 1013335976 /nfs/dbraw/zinc/33/59/76/1013335976.db2.gz LRQAOACKFZVOMV-UEDWAMCQSA-N 2 2 368.525 2.842 20 30 FFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001095428411 1013335984 /nfs/dbraw/zinc/33/59/84/1013335984.db2.gz LRQAOACKFZVOMV-UEDWAMCQSA-N 2 2 368.525 2.842 20 30 FFEDLP C=CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)C1=O ZINC001276052718 1013368121 /nfs/dbraw/zinc/36/81/21/1013368121.db2.gz GELCXIFZPDDETN-OAQYLSRUSA-N 2 2 350.466 2.791 20 30 FFEDLP C=CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)C1=O ZINC001276052718 1013368136 /nfs/dbraw/zinc/36/81/36/1013368136.db2.gz GELCXIFZPDDETN-OAQYLSRUSA-N 2 2 350.466 2.791 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(CC)cc2)[C@@H]1CC ZINC001087607153 968344232 /nfs/dbraw/zinc/34/42/32/968344232.db2.gz OCFGYJKECPEJHU-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(CC)cc2)[C@@H]1CC ZINC001087607153 968344239 /nfs/dbraw/zinc/34/42/39/968344239.db2.gz OCFGYJKECPEJHU-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CC)cc2)[C@@H]1CC ZINC001087607153 968344249 /nfs/dbraw/zinc/34/42/49/968344249.db2.gz OCFGYJKECPEJHU-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CC)cc2)[C@@H]1CC ZINC001087607153 968344258 /nfs/dbraw/zinc/34/42/58/968344258.db2.gz OCFGYJKECPEJHU-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211697222 976279040 /nfs/dbraw/zinc/27/90/40/976279040.db2.gz XYPVVQIRVFWZRP-YTQUADARSA-N 2 2 352.482 2.891 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC001107413903 984523481 /nfs/dbraw/zinc/52/34/81/984523481.db2.gz ZAKYGZJYVCCORE-WIYYLYMNSA-N 2 2 356.514 2.699 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC001107413903 984523483 /nfs/dbraw/zinc/52/34/83/984523483.db2.gz ZAKYGZJYVCCORE-WIYYLYMNSA-N 2 2 356.514 2.699 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001107454395 984559230 /nfs/dbraw/zinc/55/92/30/984559230.db2.gz FICGKANNOPSFSN-YFVAEKQCSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001107454395 984559232 /nfs/dbraw/zinc/55/92/32/984559232.db2.gz FICGKANNOPSFSN-YFVAEKQCSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](c3cccnc3)[NH+](C)C)CCC[C@@H]12 ZINC001107647862 984941945 /nfs/dbraw/zinc/94/19/45/984941945.db2.gz XKMRKLKREIVQBG-SVFBPWRDSA-N 2 2 356.514 2.621 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](c3cccnc3)[NH+](C)C)CCC[C@@H]12 ZINC001107647862 984941954 /nfs/dbraw/zinc/94/19/54/984941954.db2.gz XKMRKLKREIVQBG-SVFBPWRDSA-N 2 2 356.514 2.621 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085234 988754441 /nfs/dbraw/zinc/75/44/41/988754441.db2.gz QJFBMCLGLVEAHB-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085234 988754446 /nfs/dbraw/zinc/75/44/46/988754446.db2.gz QJFBMCLGLVEAHB-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004551012 989038868 /nfs/dbraw/zinc/03/88/68/989038868.db2.gz HCNMMNQJQBVIHF-GUDVDZBRSA-N 2 2 356.514 2.803 20 30 FFEDLP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004551012 989038880 /nfs/dbraw/zinc/03/88/80/989038880.db2.gz HCNMMNQJQBVIHF-GUDVDZBRSA-N 2 2 356.514 2.803 20 30 FFEDLP C#CCN(C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC[NH+](C)CC1 ZINC000920875816 990929501 /nfs/dbraw/zinc/92/95/01/990929501.db2.gz RWWGSHXCZVGRNR-QGZVFWFLSA-N 2 2 365.481 2.672 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1c1ccc(F)cc1 ZINC001079161415 991866801 /nfs/dbraw/zinc/86/68/01/991866801.db2.gz OJBFINBMAMLSFR-PKOBYXMFSA-N 2 2 356.445 2.560 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1C ZINC001079879507 992523214 /nfs/dbraw/zinc/52/32/14/992523214.db2.gz VVJCCSZKEVIMBS-YHYVQYDKSA-N 2 2 365.521 2.598 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1C ZINC001079879507 992523219 /nfs/dbraw/zinc/52/32/19/992523219.db2.gz VVJCCSZKEVIMBS-YHYVQYDKSA-N 2 2 365.521 2.598 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C3CC3)cc2)C[C@H]1C ZINC001079879507 992523228 /nfs/dbraw/zinc/52/32/28/992523228.db2.gz VVJCCSZKEVIMBS-YHYVQYDKSA-N 2 2 365.521 2.598 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C3CC3)cc2)C[C@H]1C ZINC001079879507 992523239 /nfs/dbraw/zinc/52/32/39/992523239.db2.gz VVJCCSZKEVIMBS-YHYVQYDKSA-N 2 2 365.521 2.598 20 30 FFEDLP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001131519116 994348157 /nfs/dbraw/zinc/34/81/57/994348157.db2.gz GBTNHWNGUUKEJW-QUCCMNQESA-N 2 2 368.481 2.738 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001084940266 998216757 /nfs/dbraw/zinc/21/67/57/998216757.db2.gz QEWWEHLGXWWICE-SJORKVTESA-N 2 2 353.938 2.926 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001084940266 998216766 /nfs/dbraw/zinc/21/67/66/998216766.db2.gz QEWWEHLGXWWICE-SJORKVTESA-N 2 2 353.938 2.926 20 30 FFEDLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000903823396 1016244273 /nfs/dbraw/zinc/24/42/73/1016244273.db2.gz GGZCIFLBKVRLJF-FPOVZHCZSA-N 2 2 351.450 2.683 20 30 FFEDLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000903823396 1016244279 /nfs/dbraw/zinc/24/42/79/1016244279.db2.gz GGZCIFLBKVRLJF-FPOVZHCZSA-N 2 2 351.450 2.683 20 30 FFEDLP C#CCCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741257017 999717137 /nfs/dbraw/zinc/71/71/37/999717137.db2.gz BCNUFJMKFCPZHH-QHCPKHFHSA-N 2 2 364.489 2.815 20 30 FFEDLP C#CCCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000741257017 999717140 /nfs/dbraw/zinc/71/71/40/999717140.db2.gz BCNUFJMKFCPZHH-QHCPKHFHSA-N 2 2 364.489 2.815 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169905446 1000085328 /nfs/dbraw/zinc/08/53/28/1000085328.db2.gz LXOWZMMWVBRRTN-FQEVSTJZSA-N 2 2 355.482 2.798 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/c1ccccc1 ZINC001095555592 1016749423 /nfs/dbraw/zinc/74/94/23/1016749423.db2.gz UQGPDVXASRMLIC-NKQYJAMZSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/c1ccccc1 ZINC001095555592 1016749435 /nfs/dbraw/zinc/74/94/35/1016749435.db2.gz UQGPDVXASRMLIC-NKQYJAMZSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C/C=C/c1ccccc1 ZINC001095555592 1016749451 /nfs/dbraw/zinc/74/94/51/1016749451.db2.gz UQGPDVXASRMLIC-NKQYJAMZSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C/C=C/c1ccccc1 ZINC001095555592 1016749462 /nfs/dbraw/zinc/74/94/62/1016749462.db2.gz UQGPDVXASRMLIC-NKQYJAMZSA-N 2 2 363.505 2.519 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673582 1006690699 /nfs/dbraw/zinc/69/06/99/1006690699.db2.gz PFVIYEHAKUAKLH-DLBZAZTESA-N 2 2 353.938 2.784 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673582 1006690702 /nfs/dbraw/zinc/69/07/02/1006690702.db2.gz PFVIYEHAKUAKLH-DLBZAZTESA-N 2 2 353.938 2.784 20 30 FFEDLP CC(C)(C#N)CCCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000135500895 1007519460 /nfs/dbraw/zinc/51/94/60/1007519460.db2.gz BCZSJSDSQVCQSO-UHFFFAOYSA-N 2 2 371.529 2.813 20 30 FFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC001178828151 1009142161 /nfs/dbraw/zinc/14/21/61/1009142161.db2.gz WZJCRFCNXJBHNQ-UHFFFAOYSA-N 2 2 361.287 2.884 20 30 FFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC001178828151 1009142166 /nfs/dbraw/zinc/14/21/66/1009142166.db2.gz WZJCRFCNXJBHNQ-UHFFFAOYSA-N 2 2 361.287 2.884 20 30 FFEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000104160009 1009929084 /nfs/dbraw/zinc/92/90/84/1009929084.db2.gz CNTADNSNZFQWGO-OAHLLOKOSA-N 2 2 374.407 2.669 20 30 FFEDLP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cc(C)[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001093460044 1010287374 /nfs/dbraw/zinc/28/73/74/1010287374.db2.gz XPRMFDMSWAKSMM-VFSLUADLSA-N 2 2 371.525 2.773 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094452703 1011141631 /nfs/dbraw/zinc/14/16/31/1011141631.db2.gz ALTVKZJYRYAUOS-FBBABVLZSA-N 2 2 356.514 2.773 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094452703 1011141634 /nfs/dbraw/zinc/14/16/34/1011141634.db2.gz ALTVKZJYRYAUOS-FBBABVLZSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCn1cc[nH+]c1)C2=O ZINC001276340004 1012011340 /nfs/dbraw/zinc/01/13/40/1012011340.db2.gz XLGWKJAYRYRQIV-OAQYLSRUSA-N 2 2 350.466 2.840 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCn1cc[nH+]c1)C2=O ZINC001276340004 1012011347 /nfs/dbraw/zinc/01/13/47/1012011347.db2.gz XLGWKJAYRYRQIV-OAQYLSRUSA-N 2 2 350.466 2.840 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001046327662 1020590591 /nfs/dbraw/zinc/59/05/91/1020590591.db2.gz ORDGVBITLYOLTB-DBXWQHBBSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001046327662 1020590597 /nfs/dbraw/zinc/59/05/97/1020590597.db2.gz ORDGVBITLYOLTB-DBXWQHBBSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001098843707 1021228611 /nfs/dbraw/zinc/22/86/11/1021228611.db2.gz KEOJPNJXOMUXAD-SCWSEQNSSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001098843707 1021228616 /nfs/dbraw/zinc/22/86/16/1021228616.db2.gz KEOJPNJXOMUXAD-SCWSEQNSSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001098843707 1021228620 /nfs/dbraw/zinc/22/86/20/1021228620.db2.gz KEOJPNJXOMUXAD-SCWSEQNSSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001098843707 1021228622 /nfs/dbraw/zinc/22/86/22/1021228622.db2.gz KEOJPNJXOMUXAD-SCWSEQNSSA-N 2 2 371.529 2.727 20 30 FFEDLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001111074922 1021242556 /nfs/dbraw/zinc/24/25/56/1021242556.db2.gz HNJMODUBOASCMG-OBZTUIKSSA-N 2 2 363.465 2.628 20 30 FFEDLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001111074922 1021242569 /nfs/dbraw/zinc/24/25/69/1021242569.db2.gz HNJMODUBOASCMG-OBZTUIKSSA-N 2 2 363.465 2.628 20 30 FFEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)[nH+]1 ZINC001118872576 1022451869 /nfs/dbraw/zinc/45/18/69/1022451869.db2.gz CFTZIXKIVDDSMT-OALUTQOASA-N 2 2 366.465 2.578 20 30 FFEDLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1F ZINC001111304067 1023708200 /nfs/dbraw/zinc/70/82/00/1023708200.db2.gz OXTKIJRGSWORNQ-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1F ZINC001111304067 1023708203 /nfs/dbraw/zinc/70/82/03/1023708203.db2.gz OXTKIJRGSWORNQ-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001111304067 1023708207 /nfs/dbraw/zinc/70/82/07/1023708207.db2.gz OXTKIJRGSWORNQ-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001111304067 1023708209 /nfs/dbraw/zinc/70/82/09/1023708209.db2.gz OXTKIJRGSWORNQ-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637309 1027845646 /nfs/dbraw/zinc/84/56/46/1027845646.db2.gz GXCFBJQEOSARDB-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637309 1027845663 /nfs/dbraw/zinc/84/56/63/1027845663.db2.gz GXCFBJQEOSARDB-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP N#C[C@H](c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nn1)c1ccccc1F ZINC001155057247 1028562030 /nfs/dbraw/zinc/56/20/30/1028562030.db2.gz BQGGJBHMHZMQKE-INIZCTEOSA-N 2 2 362.412 2.924 20 30 FFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001112439012 1030810433 /nfs/dbraw/zinc/81/04/33/1030810433.db2.gz NENPOVCAJIKNRN-WWMYMODYSA-N 2 2 356.514 2.617 20 30 FFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001112439012 1030810456 /nfs/dbraw/zinc/81/04/56/1030810456.db2.gz NENPOVCAJIKNRN-WWMYMODYSA-N 2 2 356.514 2.617 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001112438338 1030810625 /nfs/dbraw/zinc/81/06/25/1030810625.db2.gz BYKRMQIZWUVNEZ-LQWHRVPQSA-N 2 2 356.514 2.630 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001204370848 1031258264 /nfs/dbraw/zinc/25/82/64/1031258264.db2.gz ODCGDCQMZPWVSX-FGZHOGPDSA-N 2 2 362.477 2.676 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001204370848 1031258276 /nfs/dbraw/zinc/25/82/76/1031258276.db2.gz ODCGDCQMZPWVSX-FGZHOGPDSA-N 2 2 362.477 2.676 20 30 FFEDLP N#Cc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001204370848 1031258293 /nfs/dbraw/zinc/25/82/93/1031258293.db2.gz ODCGDCQMZPWVSX-FGZHOGPDSA-N 2 2 362.477 2.676 20 30 FFEDLP N#Cc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001204370848 1031258299 /nfs/dbraw/zinc/25/82/99/1031258299.db2.gz ODCGDCQMZPWVSX-FGZHOGPDSA-N 2 2 362.477 2.676 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205458431 1031762893 /nfs/dbraw/zinc/76/28/93/1031762893.db2.gz LFBMRANSFBCDPI-FFZOFVMBSA-N 2 2 370.472 2.961 20 30 FFEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCCC1 ZINC001115542014 1031810504 /nfs/dbraw/zinc/81/05/04/1031810504.db2.gz ICDJFNWVFDINTR-QZTJIDSGSA-N 2 2 356.514 2.749 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205692453 1031940218 /nfs/dbraw/zinc/94/02/18/1031940218.db2.gz VMRSPDNABSGVRJ-PKOBYXMFSA-N 2 2 356.445 2.573 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001226355435 1034645882 /nfs/dbraw/zinc/64/58/82/1034645882.db2.gz ICYKCAHOKFMOBI-MDZRGWNJSA-N 2 2 359.518 2.773 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001226355435 1034645891 /nfs/dbraw/zinc/64/58/91/1034645891.db2.gz ICYKCAHOKFMOBI-MDZRGWNJSA-N 2 2 359.518 2.773 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001226357054 1034647471 /nfs/dbraw/zinc/64/74/71/1034647471.db2.gz ZMNTUODLCSGYDV-GPMSIDNRSA-N 2 2 359.518 2.773 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001226357054 1034647479 /nfs/dbraw/zinc/64/74/79/1034647479.db2.gz ZMNTUODLCSGYDV-GPMSIDNRSA-N 2 2 359.518 2.773 20 30 FFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001221657306 1034954430 /nfs/dbraw/zinc/95/44/30/1034954430.db2.gz QVKNFLZSWVEYOG-WSTZPKSXSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001221657306 1034954435 /nfs/dbraw/zinc/95/44/35/1034954435.db2.gz QVKNFLZSWVEYOG-WSTZPKSXSA-N 2 2 358.530 2.949 20 30 FFEDLP N#Cc1cccc2c(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001139702395 1035201621 /nfs/dbraw/zinc/20/16/21/1035201621.db2.gz CTVBGKLBKOOUAJ-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1cccc2c(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001139702395 1035201625 /nfs/dbraw/zinc/20/16/25/1035201625.db2.gz CTVBGKLBKOOUAJ-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1cccc2c(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001139702395 1035201627 /nfs/dbraw/zinc/20/16/27/1035201627.db2.gz CTVBGKLBKOOUAJ-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1cccc2c(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c[nH]c21 ZINC001139702395 1035201630 /nfs/dbraw/zinc/20/16/30/1035201630.db2.gz CTVBGKLBKOOUAJ-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCn2cc[nH+]c2)ccc1F ZINC001227840116 1035768685 /nfs/dbraw/zinc/76/86/85/1035768685.db2.gz ZGUFNNYVMFSXGA-RTBURBONSA-N 2 2 369.444 2.501 20 30 FFEDLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328860436 1036469346 /nfs/dbraw/zinc/46/93/46/1036469346.db2.gz YSXUDEJWOIDDLU-HXUWFJFHSA-N 2 2 367.497 2.906 20 30 FFEDLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C#N)cc3O)CC2)C1 ZINC001233384181 1036583086 /nfs/dbraw/zinc/58/30/86/1036583086.db2.gz KYICPKDFLPEWOK-SFHVURJKSA-N 2 2 371.481 2.503 20 30 FFEDLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C#N)cc3O)CC2)C1 ZINC001233384181 1036583095 /nfs/dbraw/zinc/58/30/95/1036583095.db2.gz KYICPKDFLPEWOK-SFHVURJKSA-N 2 2 371.481 2.503 20 30 FFEDLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001278894532 1038232071 /nfs/dbraw/zinc/23/20/71/1038232071.db2.gz DTWWIYMXQZQEKT-OAQYLSRUSA-N 2 2 356.514 2.503 20 30 FFEDLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001278894532 1038232078 /nfs/dbraw/zinc/23/20/78/1038232078.db2.gz DTWWIYMXQZQEKT-OAQYLSRUSA-N 2 2 356.514 2.503 20 30 FFEDLP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ncccc2F)CC3)cc1C#N ZINC001279414661 1043082660 /nfs/dbraw/zinc/08/26/60/1043082660.db2.gz MFNMCRAVYCKBIB-UHFFFAOYSA-N 2 2 353.445 2.529 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](CC4(C)COC4)C3)C2)cc1C#N ZINC001279459608 1043139473 /nfs/dbraw/zinc/13/94/73/1043139473.db2.gz GVIKJZXRLQLNCQ-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](CC4(C)COC4)C3)C2)cc1C#N ZINC001279459608 1043139477 /nfs/dbraw/zinc/13/94/77/1043139477.db2.gz GVIKJZXRLQLNCQ-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](CC4(C)COC4)C3)C2)cc1C#N ZINC001279459608 1043139483 /nfs/dbraw/zinc/13/94/83/1043139483.db2.gz GVIKJZXRLQLNCQ-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](CC4(C)COC4)C3)C2)cc1C#N ZINC001279459608 1043139490 /nfs/dbraw/zinc/13/94/90/1043139490.db2.gz GVIKJZXRLQLNCQ-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP CCC(=O)C(C)(C)C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001278167613 1043453804 /nfs/dbraw/zinc/45/38/04/1043453804.db2.gz SEIDKXAITUMMRO-UHFFFAOYSA-N 2 2 356.514 2.800 20 30 FFEDLP COc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1C#N ZINC001238407271 1043690720 /nfs/dbraw/zinc/69/07/20/1043690720.db2.gz VDPSSVCCCJGMTL-OAQYLSRUSA-N 2 2 357.498 2.890 20 30 FFEDLP COc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)ccc1C#N ZINC001238407271 1043690724 /nfs/dbraw/zinc/69/07/24/1043690724.db2.gz VDPSSVCCCJGMTL-OAQYLSRUSA-N 2 2 357.498 2.890 20 30 FFEDLP COc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1C#N ZINC001238407271 1043690730 /nfs/dbraw/zinc/69/07/30/1043690730.db2.gz VDPSSVCCCJGMTL-OAQYLSRUSA-N 2 2 357.498 2.890 20 30 FFEDLP COc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)ccc1C#N ZINC001238407271 1043690735 /nfs/dbraw/zinc/69/07/35/1043690735.db2.gz VDPSSVCCCJGMTL-OAQYLSRUSA-N 2 2 357.498 2.890 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC001324516925 1046076854 /nfs/dbraw/zinc/07/68/54/1046076854.db2.gz WBBCOXHUYCTZBA-MRXNPFEDSA-N 2 2 362.437 2.796 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC001324516925 1046076871 /nfs/dbraw/zinc/07/68/71/1046076871.db2.gz WBBCOXHUYCTZBA-MRXNPFEDSA-N 2 2 362.437 2.796 20 30 FFEDLP C[C@@H](CCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283190899 1046350350 /nfs/dbraw/zinc/35/03/50/1046350350.db2.gz VNXCUCGWVKWWBE-IAOVAPTHSA-N 2 2 369.444 2.599 20 30 FFEDLP C[C@@H](CCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283190899 1046350362 /nfs/dbraw/zinc/35/03/62/1046350362.db2.gz VNXCUCGWVKWWBE-IAOVAPTHSA-N 2 2 369.444 2.599 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001515297699 1059512471 /nfs/dbraw/zinc/51/24/71/1059512471.db2.gz WTQLBXQNDHBITQ-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001515297699 1059512489 /nfs/dbraw/zinc/51/24/89/1059512489.db2.gz WTQLBXQNDHBITQ-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C[C@@](C[NH2+]Cc1ccc(C#N)s1)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001568021380 1077067481 /nfs/dbraw/zinc/06/74/81/1077067481.db2.gz BNLKZSRNDNNBJX-MDZRGWNJSA-N 2 2 369.494 2.521 20 30 FFEDLP C[C@@](C[NH2+]Cc1ccc(C#N)s1)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001568021380 1077067485 /nfs/dbraw/zinc/06/74/85/1077067485.db2.gz BNLKZSRNDNNBJX-MDZRGWNJSA-N 2 2 369.494 2.521 20 30 FFEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000410393291 512252866 /nfs/dbraw/zinc/25/28/66/512252866.db2.gz VKJWVJMRRAWOFS-IFMALSPDSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000410393291 512252871 /nfs/dbraw/zinc/25/28/71/512252871.db2.gz VKJWVJMRRAWOFS-IFMALSPDSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000410393291 512252875 /nfs/dbraw/zinc/25/28/75/512252875.db2.gz VKJWVJMRRAWOFS-IFMALSPDSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000410393291 512252881 /nfs/dbraw/zinc/25/28/81/512252881.db2.gz VKJWVJMRRAWOFS-IFMALSPDSA-N 2 2 353.510 2.761 20 30 FFEDLP C#CCOc1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000061030591 507591451 /nfs/dbraw/zinc/59/14/51/507591451.db2.gz YXFFRDYYURLAPC-UHFFFAOYSA-N 2 2 350.462 2.821 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000377628330 512362475 /nfs/dbraw/zinc/36/24/75/512362475.db2.gz SIGVOIGXUFBSBN-UHFFFAOYSA-N 2 2 356.470 2.576 20 30 FFEDLP C=C(C)COc1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)ccc1OC ZINC000093413045 508144186 /nfs/dbraw/zinc/14/41/86/508144186.db2.gz PCIHFPOALQQUDX-UHFFFAOYSA-N 2 2 362.514 2.929 20 30 FFEDLP C=C(C)COc1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)ccc1OC ZINC000093413045 508144188 /nfs/dbraw/zinc/14/41/88/508144188.db2.gz PCIHFPOALQQUDX-UHFFFAOYSA-N 2 2 362.514 2.929 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152482392 508455041 /nfs/dbraw/zinc/45/50/41/508455041.db2.gz PLPMCBAMURGIAA-RTBURBONSA-N 2 2 356.514 2.904 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152482392 508455044 /nfs/dbraw/zinc/45/50/44/508455044.db2.gz PLPMCBAMURGIAA-RTBURBONSA-N 2 2 356.514 2.904 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152482392 508455049 /nfs/dbraw/zinc/45/50/49/508455049.db2.gz PLPMCBAMURGIAA-RTBURBONSA-N 2 2 356.514 2.904 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152482392 508455053 /nfs/dbraw/zinc/45/50/53/508455053.db2.gz PLPMCBAMURGIAA-RTBURBONSA-N 2 2 356.514 2.904 20 30 FFEDLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129336511 508714701 /nfs/dbraw/zinc/71/47/01/508714701.db2.gz NHLPPVCPTJANAW-BMFZPTHFSA-N 2 2 355.467 2.505 20 30 FFEDLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129336511 508714702 /nfs/dbraw/zinc/71/47/02/508714702.db2.gz NHLPPVCPTJANAW-BMFZPTHFSA-N 2 2 355.467 2.505 20 30 FFEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000131143302 508891858 /nfs/dbraw/zinc/89/18/58/508891858.db2.gz XSZUJFQLVHCISC-MRXNPFEDSA-N 2 2 360.465 2.916 20 30 FFEDLP Cc1cc(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000126918650 509147254 /nfs/dbraw/zinc/14/72/54/509147254.db2.gz KCKZNPIYVZMIKH-LJQANCHMSA-N 2 2 365.481 2.636 20 30 FFEDLP Cc1oc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185708182 509317963 /nfs/dbraw/zinc/31/79/63/509317963.db2.gz QCNRDKBVFYWLHJ-GDBMZVCRSA-N 2 2 358.486 2.949 20 30 FFEDLP Cc1oc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185708182 509317968 /nfs/dbraw/zinc/31/79/68/509317968.db2.gz QCNRDKBVFYWLHJ-GDBMZVCRSA-N 2 2 358.486 2.949 20 30 FFEDLP N#CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CC1 ZINC000176252502 509404285 /nfs/dbraw/zinc/40/42/85/509404285.db2.gz RPWIYSBQSCGHLL-UHFFFAOYSA-N 2 2 354.498 2.524 20 30 FFEDLP N#CCC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CC1 ZINC000176252502 509404291 /nfs/dbraw/zinc/40/42/91/509404291.db2.gz RPWIYSBQSCGHLL-UHFFFAOYSA-N 2 2 354.498 2.524 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000264490687 509560308 /nfs/dbraw/zinc/56/03/08/509560308.db2.gz VWJSIAPPEMHDIB-QGZVFWFLSA-N 2 2 372.513 2.852 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171150074 509971569 /nfs/dbraw/zinc/97/15/69/509971569.db2.gz YREJYONLWBQWKQ-UHFFFAOYSA-N 2 2 374.533 2.604 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000171150074 509971575 /nfs/dbraw/zinc/97/15/75/509971575.db2.gz YREJYONLWBQWKQ-UHFFFAOYSA-N 2 2 374.533 2.604 20 30 FFEDLP C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245621626 510042712 /nfs/dbraw/zinc/04/27/12/510042712.db2.gz BBZMCWKITRPGRD-MISYRCLQSA-N 2 2 365.562 2.763 20 30 FFEDLP C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245621626 510042717 /nfs/dbraw/zinc/04/27/17/510042717.db2.gz BBZMCWKITRPGRD-MISYRCLQSA-N 2 2 365.562 2.763 20 30 FFEDLP COc1cccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181735233 510565941 /nfs/dbraw/zinc/56/59/41/510565941.db2.gz LZXCTEAPTDMLFY-JOCHJYFZSA-N 2 2 365.477 2.854 20 30 FFEDLP C=C(C)COc1cccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000175325317 510590775 /nfs/dbraw/zinc/59/07/75/510590775.db2.gz YZHIDQPZTGUJEU-UHFFFAOYSA-N 2 2 360.502 2.789 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1 ZINC000266508046 510629082 /nfs/dbraw/zinc/62/90/82/510629082.db2.gz XBRLEHNWMRLYNV-QGZVFWFLSA-N 2 2 362.477 2.797 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246795092 510679125 /nfs/dbraw/zinc/67/91/25/510679125.db2.gz HZQWLASENRUZJL-SJORKVTESA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246795092 510679131 /nfs/dbraw/zinc/67/91/31/510679131.db2.gz HZQWLASENRUZJL-SJORKVTESA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246795092 510679139 /nfs/dbraw/zinc/67/91/39/510679139.db2.gz HZQWLASENRUZJL-SJORKVTESA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246795092 510679146 /nfs/dbraw/zinc/67/91/46/510679146.db2.gz HZQWLASENRUZJL-SJORKVTESA-N 2 2 360.477 2.734 20 30 FFEDLP C[N@H+](CCOc1ccc(C#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188278488 510685069 /nfs/dbraw/zinc/68/50/69/510685069.db2.gz CADOHZYZYYTRBI-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[N@@H+](CCOc1ccc(C#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188278488 510685074 /nfs/dbraw/zinc/68/50/74/510685074.db2.gz CADOHZYZYYTRBI-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1ccc(C#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188278488 510685078 /nfs/dbraw/zinc/68/50/78/510685078.db2.gz CADOHZYZYYTRBI-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1ccc(C#N)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188278488 510685085 /nfs/dbraw/zinc/68/50/85/510685085.db2.gz CADOHZYZYYTRBI-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP COc1ccc(C#N)cc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188319734 510707648 /nfs/dbraw/zinc/70/76/48/510707648.db2.gz GFKJSRVWLYPDIZ-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C#N)cc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188319734 510707655 /nfs/dbraw/zinc/70/76/55/510707655.db2.gz GFKJSRVWLYPDIZ-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188319734 510707661 /nfs/dbraw/zinc/70/76/61/510707661.db2.gz GFKJSRVWLYPDIZ-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188319734 510707664 /nfs/dbraw/zinc/70/76/64/510707664.db2.gz GFKJSRVWLYPDIZ-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383332 510884565 /nfs/dbraw/zinc/88/45/65/510884565.db2.gz BONNZUHVYWNPRO-FGZHOGPDSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383332 510884571 /nfs/dbraw/zinc/88/45/71/510884571.db2.gz BONNZUHVYWNPRO-FGZHOGPDSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383332 510884575 /nfs/dbraw/zinc/88/45/75/510884575.db2.gz BONNZUHVYWNPRO-FGZHOGPDSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383332 510884581 /nfs/dbraw/zinc/88/45/81/510884581.db2.gz BONNZUHVYWNPRO-FGZHOGPDSA-N 2 2 368.525 2.639 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N2CCC(n3c(C)[nH+]c4ccccc43)CC2)CC1 ZINC000279801429 511220517 /nfs/dbraw/zinc/22/05/17/511220517.db2.gz MHENIYXQHRPWKU-UHFFFAOYSA-N 2 2 364.493 2.853 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cn4c(n3)SCC4)CC2)cc1 ZINC000274369554 511810934 /nfs/dbraw/zinc/81/09/34/511810934.db2.gz KKALHTRFFWPIQY-UHFFFAOYSA-N 2 2 367.522 2.657 20 30 FFEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C#N ZINC000281589497 511901597 /nfs/dbraw/zinc/90/15/97/511901597.db2.gz DWMJSSPIJGDJCD-NHCUHLMSSA-N 2 2 365.477 2.539 20 30 FFEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C#N ZINC000281589497 511901600 /nfs/dbraw/zinc/90/16/00/511901600.db2.gz DWMJSSPIJGDJCD-NHCUHLMSSA-N 2 2 365.477 2.539 20 30 FFEDLP CC1CC[NH+](C2CCC(NC([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)CC2)CC1 ZINC000329666013 512083584 /nfs/dbraw/zinc/08/35/84/512083584.db2.gz QDSVNBMCHZKAOQ-AQFXKWCLSA-N 2 2 359.518 2.814 20 30 FFEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000377889028 512499405 /nfs/dbraw/zinc/49/94/05/512499405.db2.gz UBVAGIOTKDYHNR-FQEVSTJZSA-N 2 2 372.557 2.574 20 30 FFEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000377889028 512499407 /nfs/dbraw/zinc/49/94/07/512499407.db2.gz UBVAGIOTKDYHNR-FQEVSTJZSA-N 2 2 372.557 2.574 20 30 FFEDLP CCCC[C@H](ON=C(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376893315 513036101 /nfs/dbraw/zinc/03/61/01/513036101.db2.gz OBBYJOBSKHHRJK-MOPGFXCFSA-N 2 2 366.550 2.585 20 30 FFEDLP CCCC[C@H](ON=C(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376893315 513036104 /nfs/dbraw/zinc/03/61/04/513036104.db2.gz OBBYJOBSKHHRJK-MOPGFXCFSA-N 2 2 366.550 2.585 20 30 FFEDLP CCCC[C@@H](ON=C(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376893318 513036628 /nfs/dbraw/zinc/03/66/28/513036628.db2.gz OBBYJOBSKHHRJK-RBUKOAKNSA-N 2 2 366.550 2.585 20 30 FFEDLP CCCC[C@@H](ON=C(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376893318 513036632 /nfs/dbraw/zinc/03/66/32/513036632.db2.gz OBBYJOBSKHHRJK-RBUKOAKNSA-N 2 2 366.550 2.585 20 30 FFEDLP N#CC1(NC(=O)Cc2cn3ccccc3[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000374861875 513042992 /nfs/dbraw/zinc/04/29/92/513042992.db2.gz CPDWALPULSLSGO-UHFFFAOYSA-N 2 2 373.460 2.551 20 30 FFEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000372951278 513113575 /nfs/dbraw/zinc/11/35/75/513113575.db2.gz PXZKYKVHRJTCMQ-CYBMUJFWSA-N 2 2 353.392 2.552 20 30 FFEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000372951278 513113578 /nfs/dbraw/zinc/11/35/78/513113578.db2.gz PXZKYKVHRJTCMQ-CYBMUJFWSA-N 2 2 353.392 2.552 20 30 FFEDLP COc1cc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1C#N ZINC000414738596 514266348 /nfs/dbraw/zinc/26/63/48/514266348.db2.gz YSTMFJCSZALLEK-INIZCTEOSA-N 2 2 356.495 2.944 20 30 FFEDLP COc1cc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)ccc1C#N ZINC000414738596 514266350 /nfs/dbraw/zinc/26/63/50/514266350.db2.gz YSTMFJCSZALLEK-INIZCTEOSA-N 2 2 356.495 2.944 20 30 FFEDLP C[N@H+](CCCNC(=O)C1CCC1)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000432789294 514287885 /nfs/dbraw/zinc/28/78/85/514287885.db2.gz QWTRISXXBAKKEJ-UHFFFAOYSA-N 2 2 368.525 2.761 20 30 FFEDLP C[N@@H+](CCCNC(=O)C1CCC1)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000432789294 514287888 /nfs/dbraw/zinc/28/78/88/514287888.db2.gz QWTRISXXBAKKEJ-UHFFFAOYSA-N 2 2 368.525 2.761 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476038875 514892884 /nfs/dbraw/zinc/89/28/84/514892884.db2.gz CTRKNWZDPJERNZ-LJQANCHMSA-N 2 2 356.514 2.558 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476038875 514892896 /nfs/dbraw/zinc/89/28/96/514892896.db2.gz CTRKNWZDPJERNZ-LJQANCHMSA-N 2 2 356.514 2.558 20 30 FFEDLP C=C(C)CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000458999844 515260165 /nfs/dbraw/zinc/26/01/65/515260165.db2.gz LXVJTBOMEIANAB-MOPGFXCFSA-N 2 2 350.551 2.931 20 30 FFEDLP C=C(C)CCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458999844 515260171 /nfs/dbraw/zinc/26/01/71/515260171.db2.gz LXVJTBOMEIANAB-MOPGFXCFSA-N 2 2 350.551 2.931 20 30 FFEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000528442356 516440130 /nfs/dbraw/zinc/44/01/30/516440130.db2.gz LXEHLIWREIAXIH-FQEVSTJZSA-N 2 2 368.481 2.687 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000571689847 519223057 /nfs/dbraw/zinc/22/30/57/519223057.db2.gz UJBHUJCPLSQFLU-NHCUHLMSSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000571689847 519223060 /nfs/dbraw/zinc/22/30/60/519223060.db2.gz UJBHUJCPLSQFLU-NHCUHLMSSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000571689847 519223068 /nfs/dbraw/zinc/22/30/68/519223068.db2.gz UJBHUJCPLSQFLU-NHCUHLMSSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000571689847 519223074 /nfs/dbraw/zinc/22/30/74/519223074.db2.gz UJBHUJCPLSQFLU-NHCUHLMSSA-N 2 2 374.488 2.951 20 30 FFEDLP C[N@H+](Cc1cnc2c(C#N)cnn2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000566245191 519390927 /nfs/dbraw/zinc/39/09/27/519390927.db2.gz FSAIOYZVLPISIA-UHFFFAOYSA-N 2 2 360.465 2.697 20 30 FFEDLP C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000566245191 519390930 /nfs/dbraw/zinc/39/09/30/519390930.db2.gz FSAIOYZVLPISIA-UHFFFAOYSA-N 2 2 360.465 2.697 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000590855230 519404059 /nfs/dbraw/zinc/40/40/59/519404059.db2.gz KQDZJTJJQZFQJT-RTBURBONSA-N 2 2 359.518 2.928 20 30 FFEDLP CC1CC[NH+](CCc2cccc(NC[C@H](O)C[N@H+](C)CCC#N)c2)CC1 ZINC000591774312 520033522 /nfs/dbraw/zinc/03/35/22/520033522.db2.gz PIYSXTMWIKVWFK-NRFANRHFSA-N 2 2 358.530 2.579 20 30 FFEDLP CC1CC[NH+](CCc2cccc(NC[C@H](O)C[N@@H+](C)CCC#N)c2)CC1 ZINC000591774312 520033528 /nfs/dbraw/zinc/03/35/28/520033528.db2.gz PIYSXTMWIKVWFK-NRFANRHFSA-N 2 2 358.530 2.579 20 30 FFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000594993869 520248363 /nfs/dbraw/zinc/24/83/63/520248363.db2.gz SKCNTIPVSAFPMU-INIZCTEOSA-N 2 2 353.388 2.920 20 30 FFEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595098866 520293198 /nfs/dbraw/zinc/29/31/98/520293198.db2.gz KAGXBWOAVYQXHY-FYYLOGMGSA-N 2 2 360.505 2.951 20 30 FFEDLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595098866 520293207 /nfs/dbraw/zinc/29/32/07/520293207.db2.gz KAGXBWOAVYQXHY-FYYLOGMGSA-N 2 2 360.505 2.951 20 30 FFEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000600720152 520421295 /nfs/dbraw/zinc/42/12/95/520421295.db2.gz GSAQAWSEHJNIKD-NHCUHLMSSA-N 2 2 371.525 2.702 20 30 FFEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000600720152 520421304 /nfs/dbraw/zinc/42/13/04/520421304.db2.gz GSAQAWSEHJNIKD-NHCUHLMSSA-N 2 2 371.525 2.702 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508842 520519502 /nfs/dbraw/zinc/51/95/02/520519502.db2.gz YRPZZKQUFZOOGB-DYESRHJHSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508842 520519507 /nfs/dbraw/zinc/51/95/07/520519507.db2.gz YRPZZKQUFZOOGB-DYESRHJHSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595508842 520519517 /nfs/dbraw/zinc/51/95/17/520519517.db2.gz YRPZZKQUFZOOGB-DYESRHJHSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595508842 520519523 /nfs/dbraw/zinc/51/95/23/520519523.db2.gz YRPZZKQUFZOOGB-DYESRHJHSA-N 2 2 372.488 2.879 20 30 FFEDLP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000931352330 739249705 /nfs/dbraw/zinc/24/97/05/739249705.db2.gz ZAUQKIUCSKJCAV-UHFFFAOYSA-N 2 2 360.527 2.853 20 30 FFEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001104869085 971052202 /nfs/dbraw/zinc/05/22/02/971052202.db2.gz VFBFBFUPBJVMGY-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261958930 965062878 /nfs/dbraw/zinc/06/28/78/965062878.db2.gz JNVRTRYNLFYSJL-ZQIUZPCESA-N 2 2 358.490 2.750 20 30 FFEDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001279133689 965359768 /nfs/dbraw/zinc/35/97/68/965359768.db2.gz SICFZLIWVLNOLL-FQEVSTJZSA-N 2 2 362.468 2.686 20 30 FFEDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001279133689 965359775 /nfs/dbraw/zinc/35/97/75/965359775.db2.gz SICFZLIWVLNOLL-FQEVSTJZSA-N 2 2 362.468 2.686 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2C)[C@@H]1CC ZINC001087607333 968344161 /nfs/dbraw/zinc/34/41/61/968344161.db2.gz YDMYXXJTQIXLKA-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2C)[C@@H]1CC ZINC001087607333 968344170 /nfs/dbraw/zinc/34/41/70/968344170.db2.gz YDMYXXJTQIXLKA-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(F)cc2C)[C@@H]1CC ZINC001087607333 968344178 /nfs/dbraw/zinc/34/41/78/968344178.db2.gz YDMYXXJTQIXLKA-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(F)cc2C)[C@@H]1CC ZINC001087607333 968344188 /nfs/dbraw/zinc/34/41/88/968344188.db2.gz YDMYXXJTQIXLKA-HBMCJLEFSA-N 2 2 371.500 2.701 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C(C)C ZINC000663381852 975686466 /nfs/dbraw/zinc/68/64/66/975686466.db2.gz WZTYOJQQTIOPFM-GOSISDBHSA-N 2 2 373.545 2.938 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001087430948 975993660 /nfs/dbraw/zinc/99/36/60/975993660.db2.gz RYGGNZLGTOGTIK-CEWLAPEOSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001087430948 975993668 /nfs/dbraw/zinc/99/36/68/975993668.db2.gz RYGGNZLGTOGTIK-CEWLAPEOSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001087440307 977458062 /nfs/dbraw/zinc/45/80/62/977458062.db2.gz STJDQKACWSWDGL-NHCUHLMSSA-N 2 2 355.526 2.879 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001087440307 977458067 /nfs/dbraw/zinc/45/80/67/977458067.db2.gz STJDQKACWSWDGL-NHCUHLMSSA-N 2 2 355.526 2.879 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087459379 977977194 /nfs/dbraw/zinc/97/71/94/977977194.db2.gz ASJZCCNIUDJLEA-WOJBJXKFSA-N 2 2 370.472 2.652 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087459379 977977201 /nfs/dbraw/zinc/97/72/01/977977201.db2.gz ASJZCCNIUDJLEA-WOJBJXKFSA-N 2 2 370.472 2.652 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087459954 977996286 /nfs/dbraw/zinc/99/62/86/977996286.db2.gz HKXBPMCUOBRWSN-WOJBJXKFSA-N 2 2 359.489 2.772 20 30 FFEDLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116855 1014501015 /nfs/dbraw/zinc/50/10/15/1014501015.db2.gz SXZPBIOTVXNMAX-OAQYLSRUSA-N 2 2 357.498 2.912 20 30 FFEDLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116855 1014501022 /nfs/dbraw/zinc/50/10/22/1014501022.db2.gz SXZPBIOTVXNMAX-OAQYLSRUSA-N 2 2 357.498 2.912 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)[C@@H]1C ZINC001088631317 982037003 /nfs/dbraw/zinc/03/70/03/982037003.db2.gz FKFPTGQQUNNLRT-HOJAQTOUSA-N 2 2 359.558 2.879 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)[C@@H]1C ZINC001088631317 982037008 /nfs/dbraw/zinc/03/70/08/982037008.db2.gz FKFPTGQQUNNLRT-HOJAQTOUSA-N 2 2 359.558 2.879 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)[C@@H]1C ZINC001088631317 982037012 /nfs/dbraw/zinc/03/70/12/982037012.db2.gz FKFPTGQQUNNLRT-HOJAQTOUSA-N 2 2 359.558 2.879 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)[C@@H]1C ZINC001088631317 982037015 /nfs/dbraw/zinc/03/70/15/982037015.db2.gz FKFPTGQQUNNLRT-HOJAQTOUSA-N 2 2 359.558 2.879 20 30 FFEDLP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001105563875 982412517 /nfs/dbraw/zinc/41/25/17/982412517.db2.gz SUSVBVJOORSXCO-QWFCFKBJSA-N 2 2 368.525 2.688 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001107454394 984559369 /nfs/dbraw/zinc/55/93/69/984559369.db2.gz FICGKANNOPSFSN-FBBABVLZSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001107454394 984559363 /nfs/dbraw/zinc/55/93/63/984559363.db2.gz FICGKANNOPSFSN-FBBABVLZSA-N 2 2 356.514 2.773 20 30 FFEDLP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000997589511 985576935 /nfs/dbraw/zinc/57/69/35/985576935.db2.gz PYIWDXNKSMWQKH-WSTZPKSXSA-N 2 2 370.541 2.947 20 30 FFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001106143857 987272132 /nfs/dbraw/zinc/27/21/32/987272132.db2.gz MSQUOUAVYPZZMA-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001212463138 987474672 /nfs/dbraw/zinc/47/46/72/987474672.db2.gz RXTZLCNJRWHNHB-RTBURBONSA-N 2 2 358.486 2.962 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001212463138 987474673 /nfs/dbraw/zinc/47/46/73/987474673.db2.gz RXTZLCNJRWHNHB-RTBURBONSA-N 2 2 358.486 2.962 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001212279427 991451354 /nfs/dbraw/zinc/45/13/54/991451354.db2.gz LSDDEFMULZTRHZ-RTBURBONSA-N 2 2 370.497 2.818 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](OC)C1 ZINC001212279427 991451361 /nfs/dbraw/zinc/45/13/61/991451361.db2.gz LSDDEFMULZTRHZ-RTBURBONSA-N 2 2 370.497 2.818 20 30 FFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751847 992138057 /nfs/dbraw/zinc/13/80/57/992138057.db2.gz WXSZHICCTWGRQA-KZNAEPCWSA-N 2 2 356.514 2.557 20 30 FFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751847 992138062 /nfs/dbraw/zinc/13/80/62/992138062.db2.gz WXSZHICCTWGRQA-KZNAEPCWSA-N 2 2 356.514 2.557 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001085066652 998831646 /nfs/dbraw/zinc/83/16/46/998831646.db2.gz DUNZVDIIRDHBDB-XLIONFOSSA-N 2 2 350.466 2.985 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001085066652 998831651 /nfs/dbraw/zinc/83/16/51/998831651.db2.gz DUNZVDIIRDHBDB-XLIONFOSSA-N 2 2 350.466 2.985 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C#N)ccc1F ZINC001109465948 1000513698 /nfs/dbraw/zinc/51/36/98/1000513698.db2.gz BLOQNXZJGXDURY-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C#N)ccc1F ZINC001109465948 1000513705 /nfs/dbraw/zinc/51/37/05/1000513705.db2.gz BLOQNXZJGXDURY-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001109465948 1000513712 /nfs/dbraw/zinc/51/37/12/1000513712.db2.gz BLOQNXZJGXDURY-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001109465948 1000513716 /nfs/dbraw/zinc/51/37/16/1000513716.db2.gz BLOQNXZJGXDURY-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001086944112 1001334706 /nfs/dbraw/zinc/33/47/06/1001334706.db2.gz PHGQELHEBICWOC-RCCFBDPRSA-N 2 2 356.514 2.803 20 30 FFEDLP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358830 1001351880 /nfs/dbraw/zinc/35/18/80/1001351880.db2.gz LFOAIFVHZKJSQI-MISYRCLQSA-N 2 2 364.493 2.830 20 30 FFEDLP C[C@H](CCCC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358830 1001351885 /nfs/dbraw/zinc/35/18/85/1001351885.db2.gz LFOAIFVHZKJSQI-MISYRCLQSA-N 2 2 364.493 2.830 20 30 FFEDLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183835359 1002405482 /nfs/dbraw/zinc/40/54/82/1002405482.db2.gz KYOKYFDXCGMAQP-RTWAWAEBSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183835359 1002405487 /nfs/dbraw/zinc/40/54/87/1002405487.db2.gz KYOKYFDXCGMAQP-RTWAWAEBSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183835359 1002405489 /nfs/dbraw/zinc/40/54/89/1002405489.db2.gz KYOKYFDXCGMAQP-RTWAWAEBSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183835359 1002405493 /nfs/dbraw/zinc/40/54/93/1002405493.db2.gz KYOKYFDXCGMAQP-RTWAWAEBSA-N 2 2 368.525 2.854 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001086621596 1003599836 /nfs/dbraw/zinc/59/98/36/1003599836.db2.gz CUQVDZKYUALCQP-AZUAARDMSA-N 2 2 352.482 2.811 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001086621596 1003599843 /nfs/dbraw/zinc/59/98/43/1003599843.db2.gz CUQVDZKYUALCQP-AZUAARDMSA-N 2 2 352.482 2.811 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624193 1003731526 /nfs/dbraw/zinc/73/15/26/1003731526.db2.gz RTGKOGQKNFDFOH-ZWKOTPCHSA-N 2 2 358.873 2.528 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624193 1003731530 /nfs/dbraw/zinc/73/15/30/1003731530.db2.gz RTGKOGQKNFDFOH-ZWKOTPCHSA-N 2 2 358.873 2.528 20 30 FFEDLP C=CC[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195649582 1005016667 /nfs/dbraw/zinc/01/66/67/1005016667.db2.gz JZSUNULYKPAOFM-FUHIMQAGSA-N 2 2 360.498 2.845 20 30 FFEDLP C=CC[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195649582 1005016670 /nfs/dbraw/zinc/01/66/70/1005016670.db2.gz JZSUNULYKPAOFM-FUHIMQAGSA-N 2 2 360.498 2.845 20 30 FFEDLP C=CC[C@H](C(=O)OC)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195649582 1005016675 /nfs/dbraw/zinc/01/66/75/1005016675.db2.gz JZSUNULYKPAOFM-FUHIMQAGSA-N 2 2 360.498 2.845 20 30 FFEDLP C=CC[C@H](C(=O)OC)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195649582 1005016680 /nfs/dbraw/zinc/01/66/80/1005016680.db2.gz JZSUNULYKPAOFM-FUHIMQAGSA-N 2 2 360.498 2.845 20 30 FFEDLP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000121582482 1005220233 /nfs/dbraw/zinc/22/02/33/1005220233.db2.gz PLKJLTKVYKQKAR-HNAYVOBHSA-N 2 2 361.453 2.862 20 30 FFEDLP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000121582482 1005220235 /nfs/dbraw/zinc/22/02/35/1005220235.db2.gz PLKJLTKVYKQKAR-HNAYVOBHSA-N 2 2 361.453 2.862 20 30 FFEDLP N#CC[C@@H]1CCC[NH+](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000853524901 1006429215 /nfs/dbraw/zinc/42/92/15/1006429215.db2.gz RPROHYWZCZYBNR-ACRUOGEOSA-N 2 2 366.509 2.550 20 30 FFEDLP N#CC[C@@H]1CCC[NH+](CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000853524901 1006429220 /nfs/dbraw/zinc/42/92/20/1006429220.db2.gz RPROHYWZCZYBNR-ACRUOGEOSA-N 2 2 366.509 2.550 20 30 FFEDLP N#CC[C@@H]1CCC[N@@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000853524901 1006429227 /nfs/dbraw/zinc/42/92/27/1006429227.db2.gz RPROHYWZCZYBNR-ACRUOGEOSA-N 2 2 366.509 2.550 20 30 FFEDLP N#CC[C@@H]1CCC[N@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000853524901 1006429235 /nfs/dbraw/zinc/42/92/35/1006429235.db2.gz RPROHYWZCZYBNR-ACRUOGEOSA-N 2 2 366.509 2.550 20 30 FFEDLP CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000130778450 1006605227 /nfs/dbraw/zinc/60/52/27/1006605227.db2.gz QVYRGAHHCYCTOX-NQIIRXRSSA-N 2 2 373.545 2.547 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001188697705 1006680474 /nfs/dbraw/zinc/68/04/74/1006680474.db2.gz AQVDVQRJJXOBON-AZUAARDMSA-N 2 2 350.466 2.985 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001188697705 1006680480 /nfs/dbraw/zinc/68/04/80/1006680480.db2.gz AQVDVQRJJXOBON-AZUAARDMSA-N 2 2 350.466 2.985 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001110693901 1007035390 /nfs/dbraw/zinc/03/53/90/1007035390.db2.gz VBUMWMVSBWPQFZ-LMCOJAPRSA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001110693901 1007035400 /nfs/dbraw/zinc/03/54/00/1007035400.db2.gz VBUMWMVSBWPQFZ-LMCOJAPRSA-N 2 2 372.488 2.505 20 30 FFEDLP COC(=O)c1ccc(C(=[NH2+])Nc2cc(Br)cc3c[nH+]cn32)cc1 ZINC001170989190 1008656747 /nfs/dbraw/zinc/65/67/47/1008656747.db2.gz NKJYZWOATKUEDO-UHFFFAOYSA-N 2 2 373.210 2.920 20 30 FFEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093374102 1010234108 /nfs/dbraw/zinc/23/41/08/1010234108.db2.gz ZOGFSAGLDFDDCB-LMMKCTJWSA-N 2 2 354.498 2.792 20 30 FFEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093374102 1010234120 /nfs/dbraw/zinc/23/41/20/1010234120.db2.gz ZOGFSAGLDFDDCB-LMMKCTJWSA-N 2 2 354.498 2.792 20 30 FFEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093374102 1010234132 /nfs/dbraw/zinc/23/41/32/1010234132.db2.gz ZOGFSAGLDFDDCB-LMMKCTJWSA-N 2 2 354.498 2.792 20 30 FFEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093374102 1010234144 /nfs/dbraw/zinc/23/41/44/1010234144.db2.gz ZOGFSAGLDFDDCB-LMMKCTJWSA-N 2 2 354.498 2.792 20 30 FFEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968898 1012137058 /nfs/dbraw/zinc/13/70/58/1012137058.db2.gz ADALBAYIUVVIHM-SQNIBIBYSA-N 2 2 364.534 2.988 20 30 FFEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CCNc3ccc(C#N)cn3)CC2)cc1 ZINC000927162795 1018385289 /nfs/dbraw/zinc/38/52/89/1018385289.db2.gz AOHDLACLCAHGAP-UHFFFAOYSA-N 2 2 364.497 2.690 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001096234861 1019516061 /nfs/dbraw/zinc/51/60/61/1019516061.db2.gz XMXUQZJOEZATJG-HKBOAZHASA-N 2 2 366.509 2.512 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001096234861 1019516078 /nfs/dbraw/zinc/51/60/78/1019516078.db2.gz XMXUQZJOEZATJG-HKBOAZHASA-N 2 2 366.509 2.512 20 30 FFEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)CC1 ZINC000929970267 1019782745 /nfs/dbraw/zinc/78/27/45/1019782745.db2.gz BXVTXANGXFENPI-UHFFFAOYSA-N 2 2 374.916 2.588 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C)([NH+](C)C)CC2)c(OC)c1 ZINC000931347791 1020433837 /nfs/dbraw/zinc/43/38/37/1020433837.db2.gz AHWYVOQGTDXPEU-SFHVURJKSA-N 2 2 362.514 2.580 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001122529636 1023321765 /nfs/dbraw/zinc/32/17/65/1023321765.db2.gz JGQPFUHXYNULMM-ZWKOTPCHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001122529636 1023321773 /nfs/dbraw/zinc/32/17/73/1023321773.db2.gz JGQPFUHXYNULMM-ZWKOTPCHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281061 1024309871 /nfs/dbraw/zinc/30/98/71/1024309871.db2.gz GFFXNIPLEGTSGB-JQVVWYNYSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281061 1024309887 /nfs/dbraw/zinc/30/98/87/1024309887.db2.gz GFFXNIPLEGTSGB-JQVVWYNYSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001101282797 1024317426 /nfs/dbraw/zinc/31/74/26/1024317426.db2.gz FCPIDEJICWYNIV-FVJLSDCUSA-N 2 2 356.514 2.570 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001101282797 1024317447 /nfs/dbraw/zinc/31/74/47/1024317447.db2.gz FCPIDEJICWYNIV-FVJLSDCUSA-N 2 2 356.514 2.570 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@]2(C)C1 ZINC001101282797 1024317465 /nfs/dbraw/zinc/31/74/65/1024317465.db2.gz FCPIDEJICWYNIV-FVJLSDCUSA-N 2 2 356.514 2.570 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@]2(C)C1 ZINC001101282797 1024317482 /nfs/dbraw/zinc/31/74/82/1024317482.db2.gz FCPIDEJICWYNIV-FVJLSDCUSA-N 2 2 356.514 2.570 20 30 FFEDLP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218541616 1033210022 /nfs/dbraw/zinc/21/00/22/1033210022.db2.gz MVNRHNBKSUWVFM-CYBMUJFWSA-N 2 2 355.398 2.657 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101486953 1024870560 /nfs/dbraw/zinc/87/05/60/1024870560.db2.gz HAYMQZFPCPXEBE-QUCCMNQESA-N 2 2 361.917 2.651 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101486953 1024870571 /nfs/dbraw/zinc/87/05/71/1024870571.db2.gz HAYMQZFPCPXEBE-QUCCMNQESA-N 2 2 361.917 2.651 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101486953 1024870584 /nfs/dbraw/zinc/87/05/84/1024870584.db2.gz HAYMQZFPCPXEBE-QUCCMNQESA-N 2 2 361.917 2.651 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)Cc3ccccc3)C[C@]2(C)C1 ZINC001101486953 1024870594 /nfs/dbraw/zinc/87/05/94/1024870594.db2.gz HAYMQZFPCPXEBE-QUCCMNQESA-N 2 2 361.917 2.651 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001205326131 1031671992 /nfs/dbraw/zinc/67/19/92/1031671992.db2.gz ORYVZEQFWIKHJH-VQTJNVASSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205424661 1031733981 /nfs/dbraw/zinc/73/39/81/1031733981.db2.gz MPTZPXITSLMPQQ-VQTJNVASSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205462285 1031765542 /nfs/dbraw/zinc/76/55/42/1031765542.db2.gz NLHDIJAYFBSOAR-VQTJNVASSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205634990 1031892297 /nfs/dbraw/zinc/89/22/97/1031892297.db2.gz DLEXFFMEOYFWPO-PKOBYXMFSA-N 2 2 356.445 2.573 20 30 FFEDLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001226679985 1034784106 /nfs/dbraw/zinc/78/41/06/1034784106.db2.gz QRKSRUCEGKVTPN-WOJBJXKFSA-N 2 2 368.456 2.550 20 30 FFEDLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC001226679985 1034784121 /nfs/dbraw/zinc/78/41/21/1034784121.db2.gz QRKSRUCEGKVTPN-WOJBJXKFSA-N 2 2 368.456 2.550 20 30 FFEDLP CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835232687 1035636092 /nfs/dbraw/zinc/63/60/92/1035636092.db2.gz VYJUXFFJCAGNOI-HNNXBMFYSA-N 2 2 370.409 2.671 20 30 FFEDLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001228853482 1036360921 /nfs/dbraw/zinc/36/09/21/1036360921.db2.gz PVVOMQPUESWCGL-CEWLAPEOSA-N 2 2 364.493 2.903 20 30 FFEDLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+](CCCc1cccc(C#N)c1)C2 ZINC001208852409 1038557506 /nfs/dbraw/zinc/55/75/06/1038557506.db2.gz JIGADKOZVOXEPC-UHFFFAOYSA-N 2 2 366.513 2.828 20 30 FFEDLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+](CCCc1cccc(C#N)c1)C2 ZINC001208852409 1038557515 /nfs/dbraw/zinc/55/75/15/1038557515.db2.gz JIGADKOZVOXEPC-UHFFFAOYSA-N 2 2 366.513 2.828 20 30 FFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+](CCCc1cccc(C#N)c1)C2 ZINC001208852409 1038557520 /nfs/dbraw/zinc/55/75/20/1038557520.db2.gz JIGADKOZVOXEPC-UHFFFAOYSA-N 2 2 366.513 2.828 20 30 FFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+](CCCc1cccc(C#N)c1)C2 ZINC001208852409 1038557527 /nfs/dbraw/zinc/55/75/27/1038557527.db2.gz JIGADKOZVOXEPC-UHFFFAOYSA-N 2 2 366.513 2.828 20 30 FFEDLP COC(=O)C1(C#N)CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208948095 1038601098 /nfs/dbraw/zinc/60/10/98/1038601098.db2.gz NOVQGQALWWYUDO-IBGZPJMESA-N 2 2 355.482 2.677 20 30 FFEDLP COC(=O)C1(C#N)CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948095 1038601099 /nfs/dbraw/zinc/60/10/99/1038601099.db2.gz NOVQGQALWWYUDO-IBGZPJMESA-N 2 2 355.482 2.677 20 30 FFEDLP C=CCOc1ccccc1C[NH+]1CCC2(C[NH+](COCCOC)C2)CC1 ZINC001279056389 1039043928 /nfs/dbraw/zinc/04/39/28/1039043928.db2.gz AOBVIJXFPZDQLL-UHFFFAOYSA-N 2 2 360.498 2.770 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+]([C@@H]4CCCC[NH2+]C4)C3)C2)c1 ZINC001246768283 1039474484 /nfs/dbraw/zinc/47/44/84/1039474484.db2.gz UAJAMZZLPGOROS-FGZHOGPDSA-N 2 2 368.525 2.619 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+]([C@@H]4CCCC[NH2+]C4)C3)C2)c1 ZINC001246768283 1039474487 /nfs/dbraw/zinc/47/44/87/1039474487.db2.gz UAJAMZZLPGOROS-FGZHOGPDSA-N 2 2 368.525 2.619 20 30 FFEDLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001263919712 1042532416 /nfs/dbraw/zinc/53/24/16/1042532416.db2.gz CJBDGCSUTWZRNL-FUHWJXTLSA-N 2 2 370.884 2.532 20 30 FFEDLP CCCCCCC[N@@H+]1CCc2c([nH]nc2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279865223 1043796376 /nfs/dbraw/zinc/79/63/76/1043796376.db2.gz SBZVHPBQWYSVJU-UHFFFAOYSA-N 2 2 361.534 2.562 20 30 FFEDLP CCCCCCC[N@H+]1CCc2c([nH]nc2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001279865223 1043796387 /nfs/dbraw/zinc/79/63/87/1043796387.db2.gz SBZVHPBQWYSVJU-UHFFFAOYSA-N 2 2 361.534 2.562 20 30 FFEDLP C[NH+](C)CCCOc1ccc(CN2C[C@H]3C[C@@H](C2)[N@H+]3CCCC#N)cc1 ZINC001280181294 1044362513 /nfs/dbraw/zinc/36/25/13/1044362513.db2.gz KLZDILWADYJVAV-BGYRXZFFSA-N 2 2 356.514 2.579 20 30 FFEDLP C[NH+](C)CCCOc1ccc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3CCCC#N)cc1 ZINC001280181294 1044362528 /nfs/dbraw/zinc/36/25/28/1044362528.db2.gz KLZDILWADYJVAV-BGYRXZFFSA-N 2 2 356.514 2.579 20 30 FFEDLP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001318538021 1044735351 /nfs/dbraw/zinc/73/53/51/1044735351.db2.gz OMFACHRVKKDEJE-RCCFBDPRSA-N 2 2 370.884 2.703 20 30 FFEDLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316800641 1045026402 /nfs/dbraw/zinc/02/64/02/1045026402.db2.gz XLJSGQONTXGGSL-APWZRJJASA-N 2 2 361.917 2.611 20 30 FFEDLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316800641 1045026416 /nfs/dbraw/zinc/02/64/16/1045026416.db2.gz XLJSGQONTXGGSL-APWZRJJASA-N 2 2 361.917 2.611 20 30 FFEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316800641 1045026431 /nfs/dbraw/zinc/02/64/31/1045026431.db2.gz XLJSGQONTXGGSL-APWZRJJASA-N 2 2 361.917 2.611 20 30 FFEDLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001316800641 1045026444 /nfs/dbraw/zinc/02/64/44/1045026444.db2.gz XLJSGQONTXGGSL-APWZRJJASA-N 2 2 361.917 2.611 20 30 FFEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001322574425 1046138390 /nfs/dbraw/zinc/13/83/90/1046138390.db2.gz HHNLOMZOVFSKIH-UHFFFAOYSA-N 2 2 369.388 2.885 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001523992151 1062682012 /nfs/dbraw/zinc/68/20/12/1062682012.db2.gz PDRCBVVSVVMOAX-MOPGFXCFSA-N 2 2 372.561 2.933 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001523992151 1062682022 /nfs/dbraw/zinc/68/20/22/1062682022.db2.gz PDRCBVVSVVMOAX-MOPGFXCFSA-N 2 2 372.561 2.933 20 30 FFEDLP C=CC[C@H](C)[NH+]1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001473641192 1065304758 /nfs/dbraw/zinc/30/47/58/1065304758.db2.gz IFPWXDHQNODSGK-IBGZPJMESA-N 2 2 356.514 2.506 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC001566851613 1076985470 /nfs/dbraw/zinc/98/54/70/1076985470.db2.gz UPBJFNGZCDKIMR-RTWAWAEBSA-N 2 2 353.510 2.597 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC001566851613 1076985475 /nfs/dbraw/zinc/98/54/75/1076985475.db2.gz UPBJFNGZCDKIMR-RTWAWAEBSA-N 2 2 353.510 2.597 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)[C@H](CCC)C1 ZINC001566851613 1076985476 /nfs/dbraw/zinc/98/54/76/1076985476.db2.gz UPBJFNGZCDKIMR-RTWAWAEBSA-N 2 2 353.510 2.597 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)[C@H](CCC)C1 ZINC001566851613 1076985479 /nfs/dbraw/zinc/98/54/79/1076985479.db2.gz UPBJFNGZCDKIMR-RTWAWAEBSA-N 2 2 353.510 2.597 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001571043425 1077243991 /nfs/dbraw/zinc/24/39/91/1077243991.db2.gz CQBLDQYTJLUHET-KZNAEPCWSA-N 2 2 356.514 2.803 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001571043425 1077243993 /nfs/dbraw/zinc/24/39/93/1077243993.db2.gz CQBLDQYTJLUHET-KZNAEPCWSA-N 2 2 356.514 2.803 20 30 FFEDLP C[NH+]1CCC(CNc2cc(C#N)ccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000302226411 258096477 /nfs/dbraw/zinc/09/64/77/258096477.db2.gz WAWVXMCGPHFODB-UHFFFAOYSA-N 2 2 357.458 2.829 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000068253901 507161299 /nfs/dbraw/zinc/16/12/99/507161299.db2.gz VCWPAEKDKFTNHU-UHFFFAOYSA-N 2 2 359.433 2.554 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000068253901 507161304 /nfs/dbraw/zinc/16/13/04/507161304.db2.gz VCWPAEKDKFTNHU-UHFFFAOYSA-N 2 2 359.433 2.554 20 30 FFEDLP Cc1ccccc1CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776587 507319566 /nfs/dbraw/zinc/31/95/66/507319566.db2.gz HOKTUGRUHLPHOB-UHFFFAOYSA-N 2 2 353.466 2.789 20 30 FFEDLP C#CCOc1ccccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000069747608 507552601 /nfs/dbraw/zinc/55/26/01/507552601.db2.gz LQKSRBBZTOBWHX-UHFFFAOYSA-N 2 2 350.462 2.821 20 30 FFEDLP CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373501350 512363660 /nfs/dbraw/zinc/36/36/60/512363660.db2.gz IKZSXADYCWRYSQ-FQEVSTJZSA-N 2 2 368.525 2.728 20 30 FFEDLP CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373501350 512363666 /nfs/dbraw/zinc/36/36/66/512363666.db2.gz IKZSXADYCWRYSQ-FQEVSTJZSA-N 2 2 368.525 2.728 20 30 FFEDLP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115595855 508415272 /nfs/dbraw/zinc/41/52/72/508415272.db2.gz LMAXEAIQCNDOHA-FQEVSTJZSA-N 2 2 350.466 2.716 20 30 FFEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000191975446 509272290 /nfs/dbraw/zinc/27/22/90/509272290.db2.gz WEUNMHSGDSQXGV-QHCPKHFHSA-N 2 2 374.532 2.967 20 30 FFEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000191975446 509272298 /nfs/dbraw/zinc/27/22/98/509272298.db2.gz WEUNMHSGDSQXGV-QHCPKHFHSA-N 2 2 374.532 2.967 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000180197557 509807668 /nfs/dbraw/zinc/80/76/68/509807668.db2.gz NWPUSMXKHMORHU-UHFFFAOYSA-N 2 2 366.509 2.530 20 30 FFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245438359 509933744 /nfs/dbraw/zinc/93/37/44/509933744.db2.gz SBMVDVWUNWKUSD-MOPGFXCFSA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245438359 509933748 /nfs/dbraw/zinc/93/37/48/509933748.db2.gz SBMVDVWUNWKUSD-MOPGFXCFSA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245438359 509933752 /nfs/dbraw/zinc/93/37/52/509933752.db2.gz SBMVDVWUNWKUSD-MOPGFXCFSA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245438359 509933756 /nfs/dbraw/zinc/93/37/56/509933756.db2.gz SBMVDVWUNWKUSD-MOPGFXCFSA-N 2 2 356.514 2.985 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245562798 510009636 /nfs/dbraw/zinc/00/96/36/510009636.db2.gz CRXNDHHVYAREFS-SXLOBPIMSA-N 2 2 355.482 2.934 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245562798 510009641 /nfs/dbraw/zinc/00/96/41/510009641.db2.gz CRXNDHHVYAREFS-SXLOBPIMSA-N 2 2 355.482 2.934 20 30 FFEDLP CC/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262019855 510151108 /nfs/dbraw/zinc/15/11/08/510151108.db2.gz YMOMRGOWIMYXNB-GDBMZVCRSA-N 2 2 371.514 2.641 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccccc2OCC(=O)N(C)C)CC1 ZINC000177910756 510321731 /nfs/dbraw/zinc/32/17/31/510321731.db2.gz ICRHVHLZIMBKAZ-LJQANCHMSA-N 2 2 359.514 2.845 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000171728159 510333977 /nfs/dbraw/zinc/33/39/77/510333977.db2.gz TXXWNAXCBQKONN-UHFFFAOYSA-N 2 2 356.514 2.763 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000269411335 510392691 /nfs/dbraw/zinc/39/26/91/510392691.db2.gz JHFNPGQNDIBNCS-PZJWPPBQSA-N 2 2 353.441 2.670 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000269411335 510392696 /nfs/dbraw/zinc/39/26/96/510392696.db2.gz JHFNPGQNDIBNCS-PZJWPPBQSA-N 2 2 353.441 2.670 20 30 FFEDLP Cn1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1C#N ZINC000190982440 510450480 /nfs/dbraw/zinc/45/04/80/510450480.db2.gz OHEVFMXPQDWBCY-UHFFFAOYSA-N 2 2 371.916 2.852 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000181549023 510467730 /nfs/dbraw/zinc/46/77/30/510467730.db2.gz MMWFBAIRTZYUDX-OAQYLSRUSA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@H]([NH2+]C1(C[NH2+]Cc2cc(C#N)n(C)c2)CCOCC1)c1ccccc1 ZINC000191153760 510526546 /nfs/dbraw/zinc/52/65/46/510526546.db2.gz CDNXZJNVZMNOOI-KRWDZBQOSA-N 2 2 352.482 2.886 20 30 FFEDLP Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCCn3cc[nH+]c3C)c2)n1 ZINC000270674472 510946316 /nfs/dbraw/zinc/94/63/16/510946316.db2.gz BCAZPFQJKISPCQ-UHFFFAOYSA-N 2 2 366.469 2.780 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277218268 510957169 /nfs/dbraw/zinc/95/71/69/510957169.db2.gz NSRKCZGCWVEAIY-IBGZPJMESA-N 2 2 356.514 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277218268 510957173 /nfs/dbraw/zinc/95/71/73/510957173.db2.gz NSRKCZGCWVEAIY-IBGZPJMESA-N 2 2 356.514 2.966 20 30 FFEDLP Cn1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000365242725 511338564 /nfs/dbraw/zinc/33/85/64/511338564.db2.gz PBXOZFGRBOPXRG-UHFFFAOYSA-N 3 2 357.546 2.525 20 30 FFEDLP Cn1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000365242725 511338569 /nfs/dbraw/zinc/33/85/69/511338569.db2.gz PBXOZFGRBOPXRG-UHFFFAOYSA-N 3 2 357.546 2.525 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)CC1 ZINC000280598890 511526764 /nfs/dbraw/zinc/52/67/64/511526764.db2.gz UMNWRZRZJWCWTF-UHFFFAOYSA-N 2 2 362.424 2.780 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000328878562 511943205 /nfs/dbraw/zinc/94/32/05/511943205.db2.gz UQOZGNFEQSYJNA-HUUCEWRRSA-N 2 2 370.501 2.632 20 30 FFEDLP C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329328981 512027757 /nfs/dbraw/zinc/02/77/57/512027757.db2.gz XZMBZYNAWNGVFH-ULQDDVLXSA-N 2 2 359.518 2.776 20 30 FFEDLP C[C@H](NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329328981 512027762 /nfs/dbraw/zinc/02/77/62/512027762.db2.gz XZMBZYNAWNGVFH-ULQDDVLXSA-N 2 2 359.518 2.776 20 30 FFEDLP Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000329848384 512103898 /nfs/dbraw/zinc/10/38/98/512103898.db2.gz PPJATNLJNPMKOA-UHFFFAOYSA-N 2 2 357.458 2.872 20 30 FFEDLP C=CCCOCCCCC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422014082 513523211 /nfs/dbraw/zinc/52/32/11/513523211.db2.gz FYWVJSPSBWNTGI-UHFFFAOYSA-N 2 2 365.562 2.768 20 30 FFEDLP C=CCCOCCCCC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422014082 513523216 /nfs/dbraw/zinc/52/32/16/513523216.db2.gz FYWVJSPSBWNTGI-UHFFFAOYSA-N 2 2 365.562 2.768 20 30 FFEDLP Cc1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000422207286 513638846 /nfs/dbraw/zinc/63/88/46/513638846.db2.gz LXGUKDKISITUNU-UHFFFAOYSA-N 2 2 365.481 2.844 20 30 FFEDLP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449513129 514235873 /nfs/dbraw/zinc/23/58/73/514235873.db2.gz RJISKTOXFCSKSQ-UXHICEINSA-N 2 2 355.482 2.844 20 30 FFEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458597674 514938225 /nfs/dbraw/zinc/93/82/25/514938225.db2.gz POINEALSEHMMFF-FQEVSTJZSA-N 2 2 371.529 2.747 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196845 515241382 /nfs/dbraw/zinc/24/13/82/515241382.db2.gz XZORPVVPTITEGZ-MAODMQOUSA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196845 515241389 /nfs/dbraw/zinc/24/13/89/515241389.db2.gz XZORPVVPTITEGZ-MAODMQOUSA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000459323577 515470816 /nfs/dbraw/zinc/47/08/16/515470816.db2.gz JPGUZKOGKSSABI-IYBDPMFKSA-N 2 2 372.469 2.788 20 30 FFEDLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000459323577 515470826 /nfs/dbraw/zinc/47/08/26/515470826.db2.gz JPGUZKOGKSSABI-IYBDPMFKSA-N 2 2 372.469 2.788 20 30 FFEDLP CC[NH+](CC)CCOC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459371746 515508652 /nfs/dbraw/zinc/50/86/52/515508652.db2.gz YVKGKGCFQDDRLB-UHFFFAOYSA-N 2 2 360.458 2.789 20 30 FFEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481924232 515514063 /nfs/dbraw/zinc/51/40/63/515514063.db2.gz QMAJRXHZQIOEKQ-SFTDATJTSA-N 2 2 368.525 2.858 20 30 FFEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481924232 515514075 /nfs/dbraw/zinc/51/40/75/515514075.db2.gz QMAJRXHZQIOEKQ-SFTDATJTSA-N 2 2 368.525 2.858 20 30 FFEDLP CC[NH+]1CC[C@H]([NH+](C)CC#CC[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000551700105 516826709 /nfs/dbraw/zinc/82/67/09/516826709.db2.gz WABRXEPUKSWTNL-ZDNVTZCJSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@H]([NH+](C)CC#CC[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000551700105 516826713 /nfs/dbraw/zinc/82/67/13/516826713.db2.gz WABRXEPUKSWTNL-ZDNVTZCJSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@H]([NH+](C)CC#CC[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000551700105 516826724 /nfs/dbraw/zinc/82/67/24/516826724.db2.gz WABRXEPUKSWTNL-ZDNVTZCJSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@H]([NH+](C)CC#CC[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000551700105 516826735 /nfs/dbraw/zinc/82/67/35/516826735.db2.gz WABRXEPUKSWTNL-ZDNVTZCJSA-N 4 2 362.606 2.599 20 30 FFEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000526135412 517363400 /nfs/dbraw/zinc/36/34/00/517363400.db2.gz AYMDAGMIYVTQSY-OAQYLSRUSA-N 2 2 366.509 2.537 20 30 FFEDLP N#CC1(NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000526135412 517363409 /nfs/dbraw/zinc/36/34/09/517363409.db2.gz AYMDAGMIYVTQSY-OAQYLSRUSA-N 2 2 366.509 2.537 20 30 FFEDLP N#CC1(NC(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000526135412 517363417 /nfs/dbraw/zinc/36/34/17/517363417.db2.gz AYMDAGMIYVTQSY-OAQYLSRUSA-N 2 2 366.509 2.537 20 30 FFEDLP N#CC1(NC(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000526135412 517363428 /nfs/dbraw/zinc/36/34/28/517363428.db2.gz AYMDAGMIYVTQSY-OAQYLSRUSA-N 2 2 366.509 2.537 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000527050131 517471889 /nfs/dbraw/zinc/47/18/89/517471889.db2.gz BTEZSLIGZDZHKW-OXQOHEQNSA-N 2 2 373.497 2.571 20 30 FFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC)c2C#N)[C@H](C)C1 ZINC000527050131 517471894 /nfs/dbraw/zinc/47/18/94/517471894.db2.gz BTEZSLIGZDZHKW-OXQOHEQNSA-N 2 2 373.497 2.571 20 30 FFEDLP C=CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000538415017 517611334 /nfs/dbraw/zinc/61/13/34/517611334.db2.gz YFMHHGIEBNHHFQ-QFIPXVFZSA-N 2 2 352.478 2.978 20 30 FFEDLP C=CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000538415017 517611343 /nfs/dbraw/zinc/61/13/43/517611343.db2.gz YFMHHGIEBNHHFQ-QFIPXVFZSA-N 2 2 352.478 2.978 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543063131 517889930 /nfs/dbraw/zinc/88/99/30/517889930.db2.gz KLQLNBQERDSGHK-HXUWFJFHSA-N 2 2 368.481 2.687 20 30 FFEDLP COc1ccccc1[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539508198 518083611 /nfs/dbraw/zinc/08/36/11/518083611.db2.gz VAXJYCRYYJLUOH-NRFANRHFSA-N 2 2 365.477 2.854 20 30 FFEDLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594444700 519969552 /nfs/dbraw/zinc/96/95/52/519969552.db2.gz BTQPIGCUZJNCHI-IXDOHACOSA-N 2 2 366.868 2.752 20 30 FFEDLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594444700 519969559 /nfs/dbraw/zinc/96/95/59/519969559.db2.gz BTQPIGCUZJNCHI-IXDOHACOSA-N 2 2 366.868 2.752 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602975709 520001292 /nfs/dbraw/zinc/00/12/92/520001292.db2.gz GHPBMHBIHRLXDB-NQIIRXRSSA-N 2 2 368.525 2.700 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602975709 520001296 /nfs/dbraw/zinc/00/12/96/520001296.db2.gz GHPBMHBIHRLXDB-NQIIRXRSSA-N 2 2 368.525 2.700 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000609676630 520404699 /nfs/dbraw/zinc/40/46/99/520404699.db2.gz XKYUHNHLUVRWCJ-TZIWHRDSSA-N 2 2 362.477 2.586 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000609676630 520404709 /nfs/dbraw/zinc/40/47/09/520404709.db2.gz XKYUHNHLUVRWCJ-TZIWHRDSSA-N 2 2 362.477 2.586 20 30 FFEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000600714390 520416723 /nfs/dbraw/zinc/41/67/23/520416723.db2.gz LSQBUPVFUBFTDE-SFTDATJTSA-N 2 2 365.477 2.725 20 30 FFEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595610257 520589397 /nfs/dbraw/zinc/58/93/97/520589397.db2.gz UZNALHKWMOUUNQ-OALUTQOASA-N 2 2 354.498 2.517 20 30 FFEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595610257 520589401 /nfs/dbraw/zinc/58/94/01/520589401.db2.gz UZNALHKWMOUUNQ-OALUTQOASA-N 2 2 354.498 2.517 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740939 521118876 /nfs/dbraw/zinc/11/88/76/521118876.db2.gz OJBPLDZHVPTAAG-YJBOKZPZSA-N 2 2 363.465 2.908 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740939 521118881 /nfs/dbraw/zinc/11/88/81/521118881.db2.gz OJBPLDZHVPTAAG-YJBOKZPZSA-N 2 2 363.465 2.908 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000593701088 521165963 /nfs/dbraw/zinc/16/59/63/521165963.db2.gz DDINXOIPNOTIIH-UHFFFAOYSA-N 3 2 352.526 2.987 20 30 FFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000602522568 521395334 /nfs/dbraw/zinc/39/53/34/521395334.db2.gz XYVVOSKXFNGBSS-GOSISDBHSA-N 2 2 357.498 2.707 20 30 FFEDLP COC(=O)c1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH]c1C ZINC000602703716 521487574 /nfs/dbraw/zinc/48/75/74/521487574.db2.gz CAQGAIDMVVXKBD-UHFFFAOYSA-N 2 2 366.465 2.736 20 30 FFEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCOCC1 ZINC000602708896 521489623 /nfs/dbraw/zinc/48/96/23/521489623.db2.gz ZEWQRHQJMRXHPW-NRFANRHFSA-N 2 2 357.498 2.554 20 30 FFEDLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000858289142 730421971 /nfs/dbraw/zinc/42/19/71/730421971.db2.gz CFRGNVBJOUCNCI-UHFFFAOYSA-N 2 2 356.495 2.872 20 30 FFEDLP C=CCCCN(CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000893267519 734677818 /nfs/dbraw/zinc/67/78/18/734677818.db2.gz LVQLSAZVOUPYOV-UHFFFAOYSA-N 2 2 350.551 2.934 20 30 FFEDLP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000928660735 738890284 /nfs/dbraw/zinc/89/02/84/738890284.db2.gz OMRPPGJFQOECNC-IBGZPJMESA-N 2 2 359.901 2.518 20 30 FFEDLP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000928660735 738890287 /nfs/dbraw/zinc/89/02/87/738890287.db2.gz OMRPPGJFQOECNC-IBGZPJMESA-N 2 2 359.901 2.518 20 30 FFEDLP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974588820 972026014 /nfs/dbraw/zinc/02/60/14/972026014.db2.gz AFGLHOZVBBUILA-KURKYZTESA-N 2 2 356.514 2.557 20 30 FFEDLP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974588820 972026019 /nfs/dbraw/zinc/02/60/19/972026019.db2.gz AFGLHOZVBBUILA-KURKYZTESA-N 2 2 356.514 2.557 20 30 FFEDLP C=CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)C1=O ZINC001276052716 1013367964 /nfs/dbraw/zinc/36/79/64/1013367964.db2.gz GELCXIFZPDDETN-NRFANRHFSA-N 2 2 350.466 2.791 20 30 FFEDLP C=CCN1CC[C@]2(CC[N@H+](Cc3ccccc3-n3cc[nH+]c3C)C2)C1=O ZINC001276052716 1013367987 /nfs/dbraw/zinc/36/79/87/1013367987.db2.gz GELCXIFZPDDETN-NRFANRHFSA-N 2 2 350.466 2.791 20 30 FFEDLP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001269574848 964210032 /nfs/dbraw/zinc/21/00/32/964210032.db2.gz CMPZJZUOQNWEHF-BMSWRWNDSA-N 2 2 356.514 2.992 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087469788 965304986 /nfs/dbraw/zinc/30/49/86/965304986.db2.gz XNBRMYBOJPIRIR-RTBURBONSA-N 2 2 356.445 2.573 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087469788 965304994 /nfs/dbraw/zinc/30/49/94/965304994.db2.gz XNBRMYBOJPIRIR-RTBURBONSA-N 2 2 356.445 2.573 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001087196538 965889123 /nfs/dbraw/zinc/88/91/23/965889123.db2.gz VAARFDAMAKZGNF-XLIONFOSSA-N 2 2 365.481 2.562 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087610296 968350817 /nfs/dbraw/zinc/35/08/17/968350817.db2.gz AHXZOGMQBIOWEV-FTEYMNFISA-N 2 2 363.465 2.554 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087610296 968350824 /nfs/dbraw/zinc/35/08/24/968350824.db2.gz AHXZOGMQBIOWEV-FTEYMNFISA-N 2 2 363.465 2.554 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@@H]2C1 ZINC001088140199 973043075 /nfs/dbraw/zinc/04/30/75/973043075.db2.gz YSMRAYHMSLSCDH-MSOLQXFVSA-N 2 2 352.482 2.542 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@@H]2C1 ZINC001088140199 973043085 /nfs/dbraw/zinc/04/30/85/973043085.db2.gz YSMRAYHMSLSCDH-MSOLQXFVSA-N 2 2 352.482 2.542 20 30 FFEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262478018 973472521 /nfs/dbraw/zinc/47/25/21/973472521.db2.gz QQBKDJJYNYSPMM-RTBURBONSA-N 3 2 373.545 2.552 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213410 973684399 /nfs/dbraw/zinc/68/43/99/973684399.db2.gz ZSLPDRWATYLNMT-QYZOEREBSA-N 2 2 361.917 2.822 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001028546395 978037208 /nfs/dbraw/zinc/03/72/08/978037208.db2.gz UHWILFMMQNHNPO-CEXWTWQISA-N 2 2 356.514 2.558 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001028546395 978037215 /nfs/dbraw/zinc/03/72/15/978037215.db2.gz UHWILFMMQNHNPO-CEXWTWQISA-N 2 2 356.514 2.558 20 30 FFEDLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001482109520 978083052 /nfs/dbraw/zinc/08/30/52/978083052.db2.gz GERJESHRBZNSBG-ZTFGCOKTSA-N 2 2 370.884 2.560 20 30 FFEDLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001482109520 978083063 /nfs/dbraw/zinc/08/30/63/978083063.db2.gz GERJESHRBZNSBG-ZTFGCOKTSA-N 2 2 370.884 2.560 20 30 FFEDLP C[NH+]=C(NC[C@@H]1CCC[N@H+](CC(C)C)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159968379 979491297 /nfs/dbraw/zinc/49/12/97/979491297.db2.gz OBEAMKGSYWMKLW-SLFFLAALSA-N 3 2 374.577 2.709 20 30 FFEDLP C[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159968379 979491302 /nfs/dbraw/zinc/49/13/02/979491302.db2.gz OBEAMKGSYWMKLW-SLFFLAALSA-N 3 2 374.577 2.709 20 30 FFEDLP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001107469760 984574488 /nfs/dbraw/zinc/57/44/88/984574488.db2.gz KQLGCKVQXGHZQD-WIYYLYMNSA-N 2 2 368.481 2.511 20 30 FFEDLP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)c3cccc4[nH+]ccn43)CCC[C@@H]12 ZINC001107469760 984574490 /nfs/dbraw/zinc/57/44/90/984574490.db2.gz KQLGCKVQXGHZQD-WIYYLYMNSA-N 2 2 368.481 2.511 20 30 FFEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088898385 985369903 /nfs/dbraw/zinc/36/99/03/985369903.db2.gz CDGVOSVWYVJHTA-HJNYFJLDSA-N 2 2 367.537 2.880 20 30 FFEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088898385 985369914 /nfs/dbraw/zinc/36/99/14/985369914.db2.gz CDGVOSVWYVJHTA-HJNYFJLDSA-N 2 2 367.537 2.880 20 30 FFEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088898385 985369923 /nfs/dbraw/zinc/36/99/23/985369923.db2.gz CDGVOSVWYVJHTA-HJNYFJLDSA-N 2 2 367.537 2.880 20 30 FFEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088898385 985369932 /nfs/dbraw/zinc/36/99/32/985369932.db2.gz CDGVOSVWYVJHTA-HJNYFJLDSA-N 2 2 367.537 2.880 20 30 FFEDLP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001002845835 987529932 /nfs/dbraw/zinc/52/99/32/987529932.db2.gz SWWZWNSZFDEYGI-IEBWSBKVSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004553095 989046720 /nfs/dbraw/zinc/04/67/20/989046720.db2.gz QNPKGZBRKTYHIY-GUDVDZBRSA-N 2 2 356.514 2.803 20 30 FFEDLP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001004553095 989046734 /nfs/dbraw/zinc/04/67/34/989046734.db2.gz QNPKGZBRKTYHIY-GUDVDZBRSA-N 2 2 356.514 2.803 20 30 FFEDLP C=CCc1cc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c(O)c(OC)c1 ZINC000164298393 989507604 /nfs/dbraw/zinc/50/76/04/989507604.db2.gz MAENGJNEIJWBIP-UHFFFAOYSA-N 2 2 369.465 2.855 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N(C)Cc1cccc(F)c1 ZINC000262566127 989610073 /nfs/dbraw/zinc/61/00/73/989610073.db2.gz LLRDIXHRDJXRPA-UHFFFAOYSA-N 2 2 366.444 2.922 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000917091792 990131580 /nfs/dbraw/zinc/13/15/80/990131580.db2.gz CVWIJXBZHOQULR-UHFFFAOYSA-N 2 2 357.502 2.708 20 30 FFEDLP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001089642123 991228270 /nfs/dbraw/zinc/22/82/70/991228270.db2.gz BQLADDNHQQSOLO-CEXWTWQISA-N 2 2 370.541 2.947 20 30 FFEDLP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001089642123 991228279 /nfs/dbraw/zinc/22/82/79/991228279.db2.gz BQLADDNHQQSOLO-CEXWTWQISA-N 2 2 370.541 2.947 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001079200727 991874962 /nfs/dbraw/zinc/87/49/62/991874962.db2.gz GCSXZAZDSZAMOX-ZYSHUDEJSA-N 2 2 356.445 2.744 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001081111233 993677037 /nfs/dbraw/zinc/67/70/37/993677037.db2.gz MGEBXCGYJWFSOM-DLBZAZTESA-N 2 2 358.873 2.679 20 30 FFEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000740898935 999690498 /nfs/dbraw/zinc/69/04/98/999690498.db2.gz HZBFVGHXVCRRNP-FYYLOGMGSA-N 2 2 364.489 2.671 20 30 FFEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000740898935 999690499 /nfs/dbraw/zinc/69/04/99/999690499.db2.gz HZBFVGHXVCRRNP-FYYLOGMGSA-N 2 2 364.489 2.671 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109555130 1000641394 /nfs/dbraw/zinc/64/13/94/1000641394.db2.gz IHGMLTKLAQNNOV-IKGGRYGDSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109555130 1000641397 /nfs/dbraw/zinc/64/13/97/1000641397.db2.gz IHGMLTKLAQNNOV-IKGGRYGDSA-N 2 2 353.938 2.973 20 30 FFEDLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001109865441 1001098792 /nfs/dbraw/zinc/09/87/92/1001098792.db2.gz QANHEHIQPGJHRO-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001109865441 1001098799 /nfs/dbraw/zinc/09/87/99/1001098799.db2.gz QANHEHIQPGJHRO-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1F ZINC001110014929 1001305943 /nfs/dbraw/zinc/30/59/43/1001305943.db2.gz OXTKIJRGSWORNQ-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1F ZINC001110014929 1001305950 /nfs/dbraw/zinc/30/59/50/1001305950.db2.gz OXTKIJRGSWORNQ-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110014929 1001305957 /nfs/dbraw/zinc/30/59/57/1001305957.db2.gz OXTKIJRGSWORNQ-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110014929 1001305963 /nfs/dbraw/zinc/30/59/63/1001305963.db2.gz OXTKIJRGSWORNQ-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086595722 1002603769 /nfs/dbraw/zinc/60/37/69/1002603769.db2.gz PWVYQFZKKQQLGO-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086595722 1002603778 /nfs/dbraw/zinc/60/37/78/1002603778.db2.gz PWVYQFZKKQQLGO-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001086599641 1002737227 /nfs/dbraw/zinc/73/72/27/1002737227.db2.gz ADTUEKSRVJWXKX-AZUAARDMSA-N 2 2 364.493 2.532 20 30 FFEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001086599641 1002737234 /nfs/dbraw/zinc/73/72/34/1002737234.db2.gz ADTUEKSRVJWXKX-AZUAARDMSA-N 2 2 364.493 2.532 20 30 FFEDLP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001001412555 1016787736 /nfs/dbraw/zinc/78/77/36/1016787736.db2.gz DYEKSKITCLBOFV-UYAOXDASSA-N 2 2 370.541 2.948 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188375396 1006536825 /nfs/dbraw/zinc/53/68/25/1006536825.db2.gz GWSFBEDFLJQMEC-IPMKNSEASA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188375396 1006536836 /nfs/dbraw/zinc/53/68/36/1006536836.db2.gz GWSFBEDFLJQMEC-IPMKNSEASA-N 2 2 356.514 2.725 20 30 FFEDLP N#Cc1ccc([C@H](O)C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000819275942 1008097529 /nfs/dbraw/zinc/09/75/29/1008097529.db2.gz XEVKFMJFNAWPPJ-DAWZGUTISA-N 2 2 367.415 2.987 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1F ZINC001110736644 1008214882 /nfs/dbraw/zinc/21/48/82/1008214882.db2.gz GMRQPMOYZOUUOS-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)cc1F ZINC001110736644 1008214886 /nfs/dbraw/zinc/21/48/86/1008214886.db2.gz GMRQPMOYZOUUOS-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110736644 1008214888 /nfs/dbraw/zinc/21/48/88/1008214888.db2.gz GMRQPMOYZOUUOS-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110736644 1008214895 /nfs/dbraw/zinc/21/48/95/1008214895.db2.gz GMRQPMOYZOUUOS-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866338023 1010979328 /nfs/dbraw/zinc/97/93/28/1010979328.db2.gz WIVOBIFAMIYKJG-HNAYVOBHSA-N 2 2 351.450 2.681 20 30 FFEDLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866338023 1010979331 /nfs/dbraw/zinc/97/93/31/1010979331.db2.gz WIVOBIFAMIYKJG-HNAYVOBHSA-N 2 2 351.450 2.681 20 30 FFEDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172973310 1012142221 /nfs/dbraw/zinc/14/22/21/1012142221.db2.gz GATFKORQROYIKH-ULQDDVLXSA-N 2 2 364.534 2.988 20 30 FFEDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172973310 1012142229 /nfs/dbraw/zinc/14/22/29/1012142229.db2.gz GATFKORQROYIKH-ULQDDVLXSA-N 2 2 364.534 2.988 20 30 FFEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303876052 1012477380 /nfs/dbraw/zinc/47/73/80/1012477380.db2.gz DORKCFMCICDTQX-YJBOKZPZSA-N 2 2 372.538 2.787 20 30 FFEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303876052 1012477392 /nfs/dbraw/zinc/47/73/92/1012477392.db2.gz DORKCFMCICDTQX-YJBOKZPZSA-N 2 2 372.538 2.787 20 30 FFEDLP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000925654912 1017810027 /nfs/dbraw/zinc/81/00/27/1017810027.db2.gz SIRJNIPFBLIJOP-GOSISDBHSA-N 2 2 354.454 2.840 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@H]2C1 ZINC001217904366 1032900368 /nfs/dbraw/zinc/90/03/68/1032900368.db2.gz QRRZNURFOGROJW-ZYSHUDEJSA-N 2 2 368.481 2.523 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@H]2C1 ZINC001217904366 1032900380 /nfs/dbraw/zinc/90/03/80/1032900380.db2.gz QRRZNURFOGROJW-ZYSHUDEJSA-N 2 2 368.481 2.523 20 30 FFEDLP CC(C)O[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC000903356803 1020803135 /nfs/dbraw/zinc/80/31/35/1020803135.db2.gz HINFXHZLMCIXFE-NRFANRHFSA-N 2 2 357.498 2.696 20 30 FFEDLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001111035634 1020841718 /nfs/dbraw/zinc/84/17/18/1020841718.db2.gz LBWIMAMXEPWXPL-ZRNYENFQSA-N 2 2 373.928 2.753 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C(F)(F)F ZINC001099329212 1022305623 /nfs/dbraw/zinc/30/56/23/1022305623.db2.gz PXNJWFHLAWVISV-HZPDHXFCSA-N 2 2 364.371 2.651 20 30 FFEDLP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000948930014 1023416485 /nfs/dbraw/zinc/41/64/85/1023416485.db2.gz WZDIHBZKLNECJT-QWFCFKBJSA-N 2 2 350.466 2.805 20 30 FFEDLP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000948930014 1023416495 /nfs/dbraw/zinc/41/64/95/1023416495.db2.gz WZDIHBZKLNECJT-QWFCFKBJSA-N 2 2 350.466 2.805 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102105009 1025432888 /nfs/dbraw/zinc/43/28/88/1025432888.db2.gz AURYTGYLCCSRNP-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001102105009 1025432895 /nfs/dbraw/zinc/43/28/95/1025432895.db2.gz AURYTGYLCCSRNP-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C#CCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246811197 1026465342 /nfs/dbraw/zinc/46/53/42/1026465342.db2.gz PWAOLPPDHAGEEZ-WOJBJXKFSA-N 2 2 362.562 2.769 20 30 FFEDLP C#CCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246811197 1026465350 /nfs/dbraw/zinc/46/53/50/1026465350.db2.gz PWAOLPPDHAGEEZ-WOJBJXKFSA-N 2 2 362.562 2.769 20 30 FFEDLP C=CC[NH+]1CCN(C(=O)C[C@H]([NH3+])C(c2ccccc2)c2ccccc2)CC1 ZINC001160431695 1027705763 /nfs/dbraw/zinc/70/57/63/1027705763.db2.gz AWZYSOIYKRLEGT-NRFANRHFSA-N 2 2 363.505 2.866 20 30 FFEDLP CCN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC001161340677 1028137238 /nfs/dbraw/zinc/13/72/38/1028137238.db2.gz SEFDGBVVKFTDBF-WOJBJXKFSA-N 2 2 354.498 2.513 20 30 FFEDLP CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC001161340677 1028137248 /nfs/dbraw/zinc/13/72/48/1028137248.db2.gz SEFDGBVVKFTDBF-WOJBJXKFSA-N 2 2 354.498 2.513 20 30 FFEDLP N#Cc1ccc(Oc2nc(Cl)ncc2NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001161872477 1028342568 /nfs/dbraw/zinc/34/25/68/1028342568.db2.gz DDWLNQNPGLIDPE-UHFFFAOYSA-N 2 2 372.860 2.629 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001205325415 1031670430 /nfs/dbraw/zinc/67/04/30/1031670430.db2.gz BHZPWXJPBLSAHJ-RBUKOAKNSA-N 2 2 356.445 2.573 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cccc(F)c1 ZINC001205452622 1031757453 /nfs/dbraw/zinc/75/74/53/1031757453.db2.gz LAXLCUPVBKUZAI-PKOBYXMFSA-N 2 2 356.445 2.560 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205458239 1031761457 /nfs/dbraw/zinc/76/14/57/1031761457.db2.gz DYOYCUSMHWVSML-RBUKOAKNSA-N 2 2 356.445 2.573 20 30 FFEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205657828 1031910381 /nfs/dbraw/zinc/91/03/81/1031910381.db2.gz NEKTWTWGGCRDTP-IMFGXOCKSA-N 2 2 368.456 2.581 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001221563493 1034878255 /nfs/dbraw/zinc/87/82/55/1034878255.db2.gz SSFKGEIBNAUWKC-YQVWRLOYSA-N 2 2 356.514 2.649 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001221563493 1034878264 /nfs/dbraw/zinc/87/82/64/1034878264.db2.gz SSFKGEIBNAUWKC-YQVWRLOYSA-N 2 2 356.514 2.649 20 30 FFEDLP C=CCOc1ccccc1C[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001139027990 1034894866 /nfs/dbraw/zinc/89/48/66/1034894866.db2.gz HXWHKRNQBMASQQ-UHFFFAOYSA-N 2 2 363.465 2.751 20 30 FFEDLP C=CCOc1ccccc1C[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001139027990 1034894869 /nfs/dbraw/zinc/89/48/69/1034894869.db2.gz HXWHKRNQBMASQQ-UHFFFAOYSA-N 2 2 363.465 2.751 20 30 FFEDLP N#Cc1ccc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)nc1 ZINC001139362257 1035074348 /nfs/dbraw/zinc/07/43/48/1035074348.db2.gz HSPGWQOHXGEUOP-UHFFFAOYSA-N 2 2 358.449 2.851 20 30 FFEDLP N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)nc1 ZINC001139362257 1035074354 /nfs/dbraw/zinc/07/43/54/1035074354.db2.gz HSPGWQOHXGEUOP-UHFFFAOYSA-N 2 2 358.449 2.851 20 30 FFEDLP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001227431090 1035552663 /nfs/dbraw/zinc/55/26/63/1035552663.db2.gz YHRQIXLFXUFGCS-IEBWSBKVSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001228157405 1035964645 /nfs/dbraw/zinc/96/46/45/1035964645.db2.gz BXDGAGDCZFCCIA-AQNXPRMDSA-N 2 2 363.546 2.613 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001228157405 1035964659 /nfs/dbraw/zinc/96/46/59/1035964659.db2.gz BXDGAGDCZFCCIA-AQNXPRMDSA-N 2 2 363.546 2.613 20 30 FFEDLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001230347475 1037240438 /nfs/dbraw/zinc/24/04/38/1037240438.db2.gz ANCTWHITDURPMH-RTBURBONSA-N 2 2 370.884 2.605 20 30 FFEDLP C=CCN(CC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1)C(=O)OCC ZINC001209018040 1038634996 /nfs/dbraw/zinc/63/49/96/1038634996.db2.gz AEKGHSHRWYIZQI-IAGOWNOFSA-N 2 2 363.527 2.756 20 30 FFEDLP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001257024316 1038681061 /nfs/dbraw/zinc/68/10/61/1038681061.db2.gz ADLUZRCXCRQNPX-ICSRJNTNSA-N 2 2 355.482 2.844 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)C[NH2+]1 ZINC001246332825 1039314663 /nfs/dbraw/zinc/31/46/63/1039314663.db2.gz JKAUQTQNRXWNTF-UTKZUKDTSA-N 2 2 359.473 2.663 20 30 FFEDLP C=CCC[C@@H](O)C[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001252598449 1039609985 /nfs/dbraw/zinc/60/99/85/1039609985.db2.gz OCCAZXFXVWYYMK-LJQANCHMSA-N 2 2 355.482 2.992 20 30 FFEDLP C=CCC[C@@H](O)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001252598449 1039609990 /nfs/dbraw/zinc/60/99/90/1039609990.db2.gz OCCAZXFXVWYYMK-LJQANCHMSA-N 2 2 355.482 2.992 20 30 FFEDLP C=CCC[C@@H](O)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001252598449 1039609997 /nfs/dbraw/zinc/60/99/97/1039609997.db2.gz OCCAZXFXVWYYMK-LJQANCHMSA-N 2 2 355.482 2.992 20 30 FFEDLP C=CCC[C@@H](O)C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC001252598449 1039610002 /nfs/dbraw/zinc/61/00/02/1039610002.db2.gz OCCAZXFXVWYYMK-LJQANCHMSA-N 2 2 355.482 2.992 20 30 FFEDLP CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001248749732 1040392250 /nfs/dbraw/zinc/39/22/50/1040392250.db2.gz KFWLXDHIAPLDGQ-QFIPXVFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001248749732 1040392258 /nfs/dbraw/zinc/39/22/58/1040392258.db2.gz KFWLXDHIAPLDGQ-QFIPXVFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C#N)ccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001248749732 1040392262 /nfs/dbraw/zinc/39/22/62/1040392262.db2.gz KFWLXDHIAPLDGQ-QFIPXVFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C#N)ccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001248749732 1040392272 /nfs/dbraw/zinc/39/22/72/1040392272.db2.gz KFWLXDHIAPLDGQ-QFIPXVFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](OC)C1 ZINC001213423359 1040540291 /nfs/dbraw/zinc/54/02/91/1040540291.db2.gz UBQHELOHIJJKSF-CGTJXYLNSA-N 2 2 362.518 2.615 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](OC)C1 ZINC001213423359 1040540310 /nfs/dbraw/zinc/54/03/10/1040540310.db2.gz UBQHELOHIJJKSF-CGTJXYLNSA-N 2 2 362.518 2.615 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185324 1041972812 /nfs/dbraw/zinc/97/28/12/1041972812.db2.gz RCTMKGQLUIXNGO-JTDSTZFVSA-N 2 2 353.470 2.672 20 30 FFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216802597 1042126628 /nfs/dbraw/zinc/12/66/28/1042126628.db2.gz AQTKWWUOMAKMCR-MISYRCLQSA-N 2 2 365.562 2.504 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001263287541 1042223149 /nfs/dbraw/zinc/22/31/49/1042223149.db2.gz LIEDOTNYMUOFIT-MSOLQXFVSA-N 2 2 360.550 2.617 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001263287541 1042223154 /nfs/dbraw/zinc/22/31/54/1042223154.db2.gz LIEDOTNYMUOFIT-MSOLQXFVSA-N 2 2 360.550 2.617 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001264042308 1042593161 /nfs/dbraw/zinc/59/31/61/1042593161.db2.gz XCGOQYUYSCMPNE-RTBURBONSA-N 2 2 356.445 2.573 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001264042308 1042593165 /nfs/dbraw/zinc/59/31/65/1042593165.db2.gz XCGOQYUYSCMPNE-RTBURBONSA-N 2 2 356.445 2.573 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCCCO2)C3)cc1C#N ZINC001279473798 1043155473 /nfs/dbraw/zinc/15/54/73/1043155473.db2.gz CFBYXMCTBROLLG-RTWAWAEBSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCCCO2)C3)cc1C#N ZINC001279473798 1043155476 /nfs/dbraw/zinc/15/54/76/1043155476.db2.gz CFBYXMCTBROLLG-RTWAWAEBSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@H]2CCCCO2)C3)cc1C#N ZINC001279473798 1043155477 /nfs/dbraw/zinc/15/54/77/1043155477.db2.gz CFBYXMCTBROLLG-RTWAWAEBSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C[C@H]2CCCCO2)C3)cc1C#N ZINC001279473798 1043155480 /nfs/dbraw/zinc/15/54/80/1043155480.db2.gz CFBYXMCTBROLLG-RTWAWAEBSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCCCO2)C3)cc1C#N ZINC001279473797 1043155670 /nfs/dbraw/zinc/15/56/70/1043155670.db2.gz CFBYXMCTBROLLG-NHCUHLMSSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@H]2CCCCO2)C3)cc1C#N ZINC001279473797 1043155674 /nfs/dbraw/zinc/15/56/74/1043155674.db2.gz CFBYXMCTBROLLG-NHCUHLMSSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@H]2CCCCO2)C3)cc1C#N ZINC001279473797 1043155677 /nfs/dbraw/zinc/15/56/77/1043155677.db2.gz CFBYXMCTBROLLG-NHCUHLMSSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C[C@H]2CCCCO2)C3)cc1C#N ZINC001279473797 1043155680 /nfs/dbraw/zinc/15/56/80/1043155680.db2.gz CFBYXMCTBROLLG-NHCUHLMSSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)cc(C#N)c4)C[C@H]3C2)cn1 ZINC001237749978 1043340459 /nfs/dbraw/zinc/34/04/59/1043340459.db2.gz DCTPPHUTUMEELD-RTBURBONSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(Cl)cc(C#N)c4)C[C@H]3C2)cn1 ZINC001237749978 1043340471 /nfs/dbraw/zinc/34/04/71/1043340471.db2.gz DCTPPHUTUMEELD-RTBURBONSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(Cl)cc(C#N)c4)C[C@H]3C2)cn1 ZINC001237749978 1043340474 /nfs/dbraw/zinc/34/04/74/1043340474.db2.gz DCTPPHUTUMEELD-RTBURBONSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(Cl)cc(C#N)c4)C[C@H]3C2)cn1 ZINC001237749978 1043340483 /nfs/dbraw/zinc/34/04/83/1043340483.db2.gz DCTPPHUTUMEELD-RTBURBONSA-N 2 2 369.900 2.899 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1CC)[NH+](C)C ZINC001316733221 1044861503 /nfs/dbraw/zinc/86/15/03/1044861503.db2.gz NFERKAVGNSYZFN-IPMKNSEASA-N 2 2 360.477 2.507 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1CC)[NH+](C)C ZINC001316733221 1044861523 /nfs/dbraw/zinc/86/15/23/1044861523.db2.gz NFERKAVGNSYZFN-IPMKNSEASA-N 2 2 360.477 2.507 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001346188157 1052781780 /nfs/dbraw/zinc/78/17/80/1052781780.db2.gz ROOBZTGHQHCARO-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001346188157 1052781781 /nfs/dbraw/zinc/78/17/81/1052781781.db2.gz ROOBZTGHQHCARO-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP COc1ccc(C(C)=NNCCCn2cc[nH+]c2)cc1C[NH+]1CCCC1 ZINC000848419075 1059974721 /nfs/dbraw/zinc/97/47/21/1059974721.db2.gz QMQQWTWUGQMCFG-UHFFFAOYSA-N 2 2 355.486 2.891 20 30 FFEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]([NH3+])CCCCC#N)c(C)c1 ZINC001579667064 1078659606 /nfs/dbraw/zinc/65/96/06/1078659606.db2.gz GOGNKSIDBKJHBS-RBUKOAKNSA-N 2 2 353.470 2.769 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001588656942 1080144582 /nfs/dbraw/zinc/14/45/82/1080144582.db2.gz CKXLCVSMVZREHF-IBGZPJMESA-N 2 2 352.486 2.874 20 30 FFEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430620 258138558 /nfs/dbraw/zinc/13/85/58/258138558.db2.gz KCPDTBOHHQWJGI-CTNGQTDRSA-N 2 2 366.509 2.717 20 30 FFEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430620 258138559 /nfs/dbraw/zinc/13/85/59/258138559.db2.gz KCPDTBOHHQWJGI-CTNGQTDRSA-N 2 2 366.509 2.717 20 30 FFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430620 258138560 /nfs/dbraw/zinc/13/85/60/258138560.db2.gz KCPDTBOHHQWJGI-CTNGQTDRSA-N 2 2 366.509 2.717 20 30 FFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430620 258138561 /nfs/dbraw/zinc/13/85/61/258138561.db2.gz KCPDTBOHHQWJGI-CTNGQTDRSA-N 2 2 366.509 2.717 20 30 FFEDLP Cc1ccc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000068776754 507319926 /nfs/dbraw/zinc/31/99/26/507319926.db2.gz URRHXCLXUHNJIP-UHFFFAOYSA-N 2 2 353.466 2.789 20 30 FFEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003997 507900018 /nfs/dbraw/zinc/90/00/18/507900018.db2.gz OVECTJHNWQQHSK-QGZVFWFLSA-N 2 2 354.454 2.634 20 30 FFEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003997 507900020 /nfs/dbraw/zinc/90/00/20/507900020.db2.gz OVECTJHNWQQHSK-QGZVFWFLSA-N 2 2 354.454 2.634 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1OC ZINC000093147599 508125734 /nfs/dbraw/zinc/12/57/34/508125734.db2.gz UDTCULXCKPYQIH-FQEVSTJZSA-N 2 2 373.541 2.862 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1OC ZINC000093147599 508125737 /nfs/dbraw/zinc/12/57/37/508125737.db2.gz UDTCULXCKPYQIH-FQEVSTJZSA-N 2 2 373.541 2.862 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123292732 508665167 /nfs/dbraw/zinc/66/51/67/508665167.db2.gz CKGVQZOHCPBLCF-IEBWSBKVSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123292732 508665169 /nfs/dbraw/zinc/66/51/69/508665169.db2.gz CKGVQZOHCPBLCF-IEBWSBKVSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123292732 508665171 /nfs/dbraw/zinc/66/51/71/508665171.db2.gz CKGVQZOHCPBLCF-IEBWSBKVSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123292732 508665173 /nfs/dbraw/zinc/66/51/73/508665173.db2.gz CKGVQZOHCPBLCF-IEBWSBKVSA-N 2 2 372.513 2.746 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC)c1 ZINC000266931787 509263767 /nfs/dbraw/zinc/26/37/67/509263767.db2.gz OVAGMQMZBJOTIU-QZTJIDSGSA-N 2 2 371.481 2.766 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC)c1 ZINC000266931787 509263779 /nfs/dbraw/zinc/26/37/79/509263779.db2.gz OVAGMQMZBJOTIU-QZTJIDSGSA-N 2 2 371.481 2.766 20 30 FFEDLP Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179317183 509371514 /nfs/dbraw/zinc/37/15/14/509371514.db2.gz QZXPIVVFYSXUHP-DFNIBXOVSA-N 2 2 367.497 2.641 20 30 FFEDLP Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179317183 509371522 /nfs/dbraw/zinc/37/15/22/509371522.db2.gz QZXPIVVFYSXUHP-DFNIBXOVSA-N 2 2 367.497 2.641 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267398061 509468241 /nfs/dbraw/zinc/46/82/41/509468241.db2.gz FIMBBBNPZZNLHU-RXCRORICSA-N 2 2 357.502 2.908 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267398061 509468249 /nfs/dbraw/zinc/46/82/49/509468249.db2.gz FIMBBBNPZZNLHU-RXCRORICSA-N 2 2 357.502 2.908 20 30 FFEDLP COCc1noc([C@@H](C)O[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000182917060 509494506 /nfs/dbraw/zinc/49/45/06/509494506.db2.gz IEXYINNEVDVXQW-CQSZACIVSA-N 2 2 373.457 2.600 20 30 FFEDLP CN(C(=O)NCCCCC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179581166 509524695 /nfs/dbraw/zinc/52/46/95/509524695.db2.gz CAMYYKPAPSQCCC-MOPGFXCFSA-N 2 2 363.550 2.659 20 30 FFEDLP CN(C(=O)NCCCCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179581166 509524703 /nfs/dbraw/zinc/52/47/03/509524703.db2.gz CAMYYKPAPSQCCC-MOPGFXCFSA-N 2 2 363.550 2.659 20 30 FFEDLP COC(=O)[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1 ZINC000179755416 509606464 /nfs/dbraw/zinc/60/64/64/509606464.db2.gz SJZVNSJYNSVJIR-FQEVSTJZSA-N 2 2 364.449 2.674 20 30 FFEDLP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261988729 510139986 /nfs/dbraw/zinc/13/99/86/510139986.db2.gz QTBVNQJXXABIQX-HUUCEWRRSA-N 2 2 358.490 2.827 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646236 510276051 /nfs/dbraw/zinc/27/60/51/510276051.db2.gz FBDODOWLPGJVGS-DLBZAZTESA-N 2 2 355.486 2.547 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646236 510276057 /nfs/dbraw/zinc/27/60/57/510276057.db2.gz FBDODOWLPGJVGS-DLBZAZTESA-N 2 2 355.486 2.547 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000171728871 510335413 /nfs/dbraw/zinc/33/54/13/510335413.db2.gz KJBBBABENFDROE-UHFFFAOYSA-N 2 2 369.425 2.551 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000270343256 510768671 /nfs/dbraw/zinc/76/86/71/510768671.db2.gz OGYXBJMDHJHQJL-UTKZUKDTSA-N 2 2 365.481 2.618 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000270343256 510768679 /nfs/dbraw/zinc/76/86/79/510768679.db2.gz OGYXBJMDHJHQJL-UTKZUKDTSA-N 2 2 365.481 2.618 20 30 FFEDLP C[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329952585 510885698 /nfs/dbraw/zinc/88/56/98/510885698.db2.gz MVMJPLLZLYJCHS-YESZJQIVSA-N 2 2 359.518 2.602 20 30 FFEDLP C[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329952585 510885705 /nfs/dbraw/zinc/88/57/05/510885705.db2.gz MVMJPLLZLYJCHS-YESZJQIVSA-N 2 2 359.518 2.602 20 30 FFEDLP C[C@H]([NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329952585 510885710 /nfs/dbraw/zinc/88/57/10/510885710.db2.gz MVMJPLLZLYJCHS-YESZJQIVSA-N 2 2 359.518 2.602 20 30 FFEDLP C[C@H]([NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329952585 510885716 /nfs/dbraw/zinc/88/57/16/510885716.db2.gz MVMJPLLZLYJCHS-YESZJQIVSA-N 2 2 359.518 2.602 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000330185314 510931973 /nfs/dbraw/zinc/93/19/73/510931973.db2.gz JAQDRXNJCCIKEJ-IEBWSBKVSA-N 2 2 367.497 2.708 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000330185314 510931977 /nfs/dbraw/zinc/93/19/77/510931977.db2.gz JAQDRXNJCCIKEJ-IEBWSBKVSA-N 2 2 367.497 2.708 20 30 FFEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000285576752 510963814 /nfs/dbraw/zinc/96/38/14/510963814.db2.gz IJCOUOZXPFKWHB-HDICACEKSA-N 2 2 356.514 2.616 20 30 FFEDLP C[C@@H]1C[N@H+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000285576752 510963820 /nfs/dbraw/zinc/96/38/20/510963820.db2.gz IJCOUOZXPFKWHB-HDICACEKSA-N 2 2 356.514 2.616 20 30 FFEDLP CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364898535 511141908 /nfs/dbraw/zinc/14/19/08/511141908.db2.gz DDNAVOGKKLKPAS-OAHLLOKOSA-N 2 2 367.419 2.577 20 30 FFEDLP CN(c1nc(C(F)(F)F)ccc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364898535 511141911 /nfs/dbraw/zinc/14/19/11/511141911.db2.gz DDNAVOGKKLKPAS-OAHLLOKOSA-N 2 2 367.419 2.577 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3COC4(CCCC4)O3)CC2)cc1 ZINC000271841016 511344260 /nfs/dbraw/zinc/34/42/60/511344260.db2.gz GTFYIXCNQRJXCC-FQEVSTJZSA-N 2 2 355.482 2.798 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)c3ccc(F)cc3)CC2)cc1 ZINC000271890424 511361452 /nfs/dbraw/zinc/36/14/52/511361452.db2.gz RWQINAWIDCIWGQ-NRFANRHFSA-N 2 2 353.441 2.985 20 30 FFEDLP CC1CCN(C(=[NH2+])NCCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000303262417 511731326 /nfs/dbraw/zinc/73/13/26/511731326.db2.gz PRLLNOQFFAQQTJ-UHFFFAOYSA-N 2 2 371.573 2.631 20 30 FFEDLP C[C@@H]1[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000312862761 511787553 /nfs/dbraw/zinc/78/75/53/511787553.db2.gz ZXDZRBMAIMTTNU-PIPMEXSNSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000312862761 511787558 /nfs/dbraw/zinc/78/75/58/511787558.db2.gz ZXDZRBMAIMTTNU-PIPMEXSNSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H]1n1cc[nH+]c1 ZINC000329151333 511993579 /nfs/dbraw/zinc/99/35/79/511993579.db2.gz ABMUQGGWGWDTJN-BPQIPLTHSA-N 2 2 354.454 2.726 20 30 FFEDLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C[C@H]1n1cc[nH+]c1 ZINC000329151333 511993582 /nfs/dbraw/zinc/99/35/82/511993582.db2.gz ABMUQGGWGWDTJN-BPQIPLTHSA-N 2 2 354.454 2.726 20 30 FFEDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329435043 512046053 /nfs/dbraw/zinc/04/60/53/512046053.db2.gz LJPKIWVSEUOJFH-IKGGRYGDSA-N 2 2 373.545 2.968 20 30 FFEDLP C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1)C1=CC[N@H+](C)CC1 ZINC000329523059 512063383 /nfs/dbraw/zinc/06/33/83/512063383.db2.gz RLADSEFIFBHIJY-KRWDZBQOSA-N 2 2 371.529 2.972 20 30 FFEDLP C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1)C1=CC[N@@H+](C)CC1 ZINC000329523059 512063391 /nfs/dbraw/zinc/06/33/91/512063391.db2.gz RLADSEFIFBHIJY-KRWDZBQOSA-N 2 2 371.529 2.972 20 30 FFEDLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000329811578 512100779 /nfs/dbraw/zinc/10/07/79/512100779.db2.gz RMNPUTLILFOICH-MJGOQNOKSA-N 2 2 353.470 2.845 20 30 FFEDLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000329811578 512100781 /nfs/dbraw/zinc/10/07/81/512100781.db2.gz RMNPUTLILFOICH-MJGOQNOKSA-N 2 2 353.470 2.845 20 30 FFEDLP COCC[N@H+](CCC#N)CC1(c2ccccc2)CC[NH+](CCC#N)CC1 ZINC000411621416 512723627 /nfs/dbraw/zinc/72/36/27/512723627.db2.gz QJOQMFCVUKXMJD-UHFFFAOYSA-N 2 2 354.498 2.796 20 30 FFEDLP COCC[N@@H+](CCC#N)CC1(c2ccccc2)CC[NH+](CCC#N)CC1 ZINC000411621416 512723631 /nfs/dbraw/zinc/72/36/31/512723631.db2.gz QJOQMFCVUKXMJD-UHFFFAOYSA-N 2 2 354.498 2.796 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000398027097 512953113 /nfs/dbraw/zinc/95/31/13/512953113.db2.gz MCWKVDYFNZPPDJ-DUXKGJEZSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000398027097 512953116 /nfs/dbraw/zinc/95/31/16/512953116.db2.gz MCWKVDYFNZPPDJ-DUXKGJEZSA-N 2 2 365.477 2.551 20 30 FFEDLP C=CCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000448392947 513748694 /nfs/dbraw/zinc/74/86/94/513748694.db2.gz ZYBWGHTUSPBQPX-OALUTQOASA-N 2 2 350.551 2.931 20 30 FFEDLP C=CCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448392947 513748699 /nfs/dbraw/zinc/74/86/99/513748699.db2.gz ZYBWGHTUSPBQPX-OALUTQOASA-N 2 2 350.551 2.931 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431164345 513842112 /nfs/dbraw/zinc/84/21/12/513842112.db2.gz VNPXNVZMLOYKBU-UYAOXDASSA-N 2 2 354.450 2.703 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431164345 513842118 /nfs/dbraw/zinc/84/21/18/513842118.db2.gz VNPXNVZMLOYKBU-UYAOXDASSA-N 2 2 354.450 2.703 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nn1 ZINC000424296456 514448908 /nfs/dbraw/zinc/44/89/08/514448908.db2.gz OOWRBIZCXHAPAX-NJDAHSKKSA-N 2 2 351.498 2.997 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nn1 ZINC000424296456 514448911 /nfs/dbraw/zinc/44/89/11/514448911.db2.gz OOWRBIZCXHAPAX-NJDAHSKKSA-N 2 2 351.498 2.997 20 30 FFEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475742420 514788446 /nfs/dbraw/zinc/78/84/46/514788446.db2.gz PTVAZKVZSSSLQZ-SIKLNZKXSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475742420 514788455 /nfs/dbraw/zinc/78/84/55/514788455.db2.gz PTVAZKVZSSSLQZ-SIKLNZKXSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475742420 514788460 /nfs/dbraw/zinc/78/84/60/514788460.db2.gz PTVAZKVZSSSLQZ-SIKLNZKXSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475742420 514788470 /nfs/dbraw/zinc/78/84/70/514788470.db2.gz PTVAZKVZSSSLQZ-SIKLNZKXSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475740453 514788818 /nfs/dbraw/zinc/78/88/18/514788818.db2.gz QPLUQFMHLFSQQU-JOCHJYFZSA-N 2 2 368.525 2.737 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475740453 514788824 /nfs/dbraw/zinc/78/88/24/514788824.db2.gz QPLUQFMHLFSQQU-JOCHJYFZSA-N 2 2 368.525 2.737 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475740453 514788832 /nfs/dbraw/zinc/78/88/32/514788832.db2.gz QPLUQFMHLFSQQU-JOCHJYFZSA-N 2 2 368.525 2.737 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475740453 514788841 /nfs/dbraw/zinc/78/88/41/514788841.db2.gz QPLUQFMHLFSQQU-JOCHJYFZSA-N 2 2 368.525 2.737 20 30 FFEDLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000512616585 516313580 /nfs/dbraw/zinc/31/35/80/516313580.db2.gz CBWNVKPOHDMDOI-OAHLLOKOSA-N 2 2 353.445 2.695 20 30 FFEDLP C[NH+]1CCC(CNC(=O)[C@@]2(C#N)CC23CCCC3)([NH+]2CCCCC2)CC1 ZINC000517502690 516345447 /nfs/dbraw/zinc/34/54/47/516345447.db2.gz KIMYMYZPWFLGIH-NRFANRHFSA-N 2 2 358.530 2.527 20 30 FFEDLP N#Cc1csc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)c1 ZINC000532889605 517189033 /nfs/dbraw/zinc/18/90/33/517189033.db2.gz YSOCJDGHEAWTSV-UHFFFAOYSA-N 2 2 367.478 2.983 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000515098005 517212081 /nfs/dbraw/zinc/21/20/81/517212081.db2.gz XTKPYVOMEOFPTA-UHFFFAOYSA-N 2 2 352.482 2.631 20 30 FFEDLP CC(C)(C)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000563622987 518032205 /nfs/dbraw/zinc/03/22/05/518032205.db2.gz IIWLDIVXYRYQEQ-IBGZPJMESA-N 2 2 354.498 2.512 20 30 FFEDLP CC1(C)C[NH+](CC#CC[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000581339145 518236959 /nfs/dbraw/zinc/23/69/59/518236959.db2.gz KWZWCAUUJSRJET-YRPNKDGESA-N 2 2 360.542 2.769 20 30 FFEDLP CC1(C)C[NH+](CC#CC[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)[C@H]1[C@H]1CCCO1 ZINC000581339145 518236976 /nfs/dbraw/zinc/23/69/76/518236976.db2.gz KWZWCAUUJSRJET-YRPNKDGESA-N 2 2 360.542 2.769 20 30 FFEDLP CC1(C)C[NH+](CC#CC[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)[C@H]1[C@H]1CCCO1 ZINC000581339145 518236983 /nfs/dbraw/zinc/23/69/83/518236983.db2.gz KWZWCAUUJSRJET-YRPNKDGESA-N 2 2 360.542 2.769 20 30 FFEDLP CC[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(C#N)cc1 ZINC000567013031 518309704 /nfs/dbraw/zinc/30/97/04/518309704.db2.gz GUURFBIHPYMZGF-ROUUACIJSA-N 2 2 351.454 2.524 20 30 FFEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(CCC#N)CC2)CC1 ZINC000567045950 518326701 /nfs/dbraw/zinc/32/67/01/518326701.db2.gz LJSQMTVBSCTNTC-LJQANCHMSA-N 2 2 368.525 2.908 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423299 519072486 /nfs/dbraw/zinc/07/24/86/519072486.db2.gz FFOURWJTSAUVIK-IAGOWNOFSA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423299 519072490 /nfs/dbraw/zinc/07/24/90/519072490.db2.gz FFOURWJTSAUVIK-IAGOWNOFSA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423299 519072494 /nfs/dbraw/zinc/07/24/94/519072494.db2.gz FFOURWJTSAUVIK-IAGOWNOFSA-N 2 2 362.543 2.571 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(C)CCC#N)C2)s1 ZINC000577423299 519072497 /nfs/dbraw/zinc/07/24/97/519072497.db2.gz FFOURWJTSAUVIK-IAGOWNOFSA-N 2 2 362.543 2.571 20 30 FFEDLP CC[C@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566429114 519488183 /nfs/dbraw/zinc/48/81/83/519488183.db2.gz PUBYQDUOEWOMTK-QAPCUYQASA-N 2 2 362.905 2.875 20 30 FFEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(C4(C#N)CC4)cc3)[nH+]c2)C1 ZINC000594735437 520123489 /nfs/dbraw/zinc/12/34/89/520123489.db2.gz QOEHNTKVEPCDFZ-HXUWFJFHSA-N 2 2 361.493 2.811 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157791 520213515 /nfs/dbraw/zinc/21/35/15/520213515.db2.gz XDFSPHYZOSUHNI-HKUYNNGSSA-N 2 2 351.454 2.855 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157791 520213520 /nfs/dbraw/zinc/21/35/20/520213520.db2.gz XDFSPHYZOSUHNI-HKUYNNGSSA-N 2 2 351.454 2.855 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000609676628 520404851 /nfs/dbraw/zinc/40/48/51/520404851.db2.gz XKYUHNHLUVRWCJ-FPOVZHCZSA-N 2 2 362.477 2.586 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000609676628 520404855 /nfs/dbraw/zinc/40/48/55/520404855.db2.gz XKYUHNHLUVRWCJ-FPOVZHCZSA-N 2 2 362.477 2.586 20 30 FFEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(C#N)c1 ZINC000611386200 521130396 /nfs/dbraw/zinc/13/03/96/521130396.db2.gz BVYQBZSZOVGLPP-MRXNPFEDSA-N 2 2 368.506 2.615 20 30 FFEDLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701608 521165220 /nfs/dbraw/zinc/16/52/20/521165220.db2.gz GZNWNYXNKZRMNV-QGZVFWFLSA-N 2 2 356.514 2.759 20 30 FFEDLP N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000596983754 521423808 /nfs/dbraw/zinc/42/38/08/521423808.db2.gz IUJHVKYLJGEKCD-OAQYLSRUSA-N 2 2 358.449 2.650 20 30 FFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000602637850 521452351 /nfs/dbraw/zinc/45/23/51/521452351.db2.gz OPGYJTZPASWHFO-PZJWPPBQSA-N 2 2 371.525 2.966 20 30 FFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000602637850 521452355 /nfs/dbraw/zinc/45/23/55/521452355.db2.gz OPGYJTZPASWHFO-PZJWPPBQSA-N 2 2 371.525 2.966 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(CC#N)c(C)[nH+]1)C2 ZINC001164817459 720174899 /nfs/dbraw/zinc/17/48/99/720174899.db2.gz PLXKAUPAYBZYKK-TZIWHRDSSA-N 2 2 354.498 2.641 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(CC#N)c(C)[nH+]1)C2 ZINC001164817459 720174901 /nfs/dbraw/zinc/17/49/01/720174901.db2.gz PLXKAUPAYBZYKK-TZIWHRDSSA-N 2 2 354.498 2.641 20 30 FFEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926023765 738558226 /nfs/dbraw/zinc/55/82/26/738558226.db2.gz DOQFSDPQQAWUSR-AWEZNQCLSA-N 2 2 361.515 2.625 20 30 FFEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC001104865741 971038970 /nfs/dbraw/zinc/03/89/70/971038970.db2.gz XACBCJMBBRFJFH-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000960027137 1013306794 /nfs/dbraw/zinc/30/67/94/1013306794.db2.gz JGTVDITYZKYIMC-IPMKNSEASA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000960027137 1013306804 /nfs/dbraw/zinc/30/68/04/1013306804.db2.gz JGTVDITYZKYIMC-IPMKNSEASA-N 2 2 363.465 2.556 20 30 FFEDLP CC[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])[NH+]1CCCC1 ZINC000121464860 964416839 /nfs/dbraw/zinc/41/68/39/964416839.db2.gz YSTPITHOFRFOMW-HNNXBMFYSA-N 2 2 367.497 2.521 20 30 FFEDLP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C(C)C)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261994871 965174013 /nfs/dbraw/zinc/17/40/13/965174013.db2.gz SEOXRDGQKURGAA-UFYCRDLUSA-N 3 2 374.577 2.852 20 30 FFEDLP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261994871 965174019 /nfs/dbraw/zinc/17/40/19/965174019.db2.gz SEOXRDGQKURGAA-UFYCRDLUSA-N 3 2 374.577 2.852 20 30 FFEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)c2)[N@H+](C)C1 ZINC000328988930 965245949 /nfs/dbraw/zinc/24/59/49/965245949.db2.gz CNOKISMPIOYNFK-QXGSTGNESA-N 2 2 361.486 2.603 20 30 FFEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)c2)[N@@H+](C)C1 ZINC000328988930 965245955 /nfs/dbraw/zinc/24/59/55/965245955.db2.gz CNOKISMPIOYNFK-QXGSTGNESA-N 2 2 361.486 2.603 20 30 FFEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)[NH+](C)C1 ZINC000328988930 965245967 /nfs/dbraw/zinc/24/59/67/965245967.db2.gz CNOKISMPIOYNFK-QXGSTGNESA-N 2 2 361.486 2.603 20 30 FFEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)[NH+](C)C1 ZINC000328988930 965245982 /nfs/dbraw/zinc/24/59/82/965245982.db2.gz CNOKISMPIOYNFK-QXGSTGNESA-N 2 2 361.486 2.603 20 30 FFEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N(C)Cc1cccn1C ZINC000262025161 965354126 /nfs/dbraw/zinc/35/41/26/965354126.db2.gz ZOBAFVVDCLVMRO-UHFFFAOYSA-N 2 2 354.433 2.557 20 30 FFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000657863467 968100636 /nfs/dbraw/zinc/10/06/36/968100636.db2.gz JFEYUFFGVBRHLC-MOPGFXCFSA-N 2 2 356.514 2.845 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001112532139 976054647 /nfs/dbraw/zinc/05/46/47/976054647.db2.gz JQRCIEPZEAVRSC-OOSNJVJTSA-N 2 2 356.514 2.708 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088791872 976305932 /nfs/dbraw/zinc/30/59/32/976305932.db2.gz HXHREVMPEJXQCV-APWZRJJASA-N 2 2 354.498 2.512 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088791872 976305944 /nfs/dbraw/zinc/30/59/44/976305944.db2.gz HXHREVMPEJXQCV-APWZRJJASA-N 2 2 354.498 2.512 20 30 FFEDLP N#C[C@@H]1C[NH2+]CC12CC(c1nc(-c3cccc(Cn4cc[nH+]c4)c3)no1)C2 ZINC000904088211 980181918 /nfs/dbraw/zinc/18/19/18/980181918.db2.gz PYLKKPVHMDUXJO-OHTSDLOESA-N 2 2 360.421 2.588 20 30 FFEDLP CN(C(=O)c1coc(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866957783 980657465 /nfs/dbraw/zinc/65/74/65/980657465.db2.gz OBEAWFFTSBSOHA-OALUTQOASA-N 2 2 358.486 2.560 20 30 FFEDLP CN(C(=O)c1coc(C#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866957783 980657469 /nfs/dbraw/zinc/65/74/69/980657469.db2.gz OBEAWFFTSBSOHA-OALUTQOASA-N 2 2 358.486 2.560 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088567594 981148647 /nfs/dbraw/zinc/14/86/47/981148647.db2.gz XPXSQIDUDNWVHT-CTNGQTDRSA-N 2 2 367.537 2.882 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088567594 981148650 /nfs/dbraw/zinc/14/86/50/981148650.db2.gz XPXSQIDUDNWVHT-CTNGQTDRSA-N 2 2 367.537 2.882 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000907304740 981227429 /nfs/dbraw/zinc/22/74/29/981227429.db2.gz FPHPBYXQFZXSLH-AEFFLSMTSA-N 2 2 369.431 2.863 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000907304740 981227433 /nfs/dbraw/zinc/22/74/33/981227433.db2.gz FPHPBYXQFZXSLH-AEFFLSMTSA-N 2 2 369.431 2.863 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C2CC2)[C@@H]1C ZINC001088631535 982037346 /nfs/dbraw/zinc/03/73/46/982037346.db2.gz QJFOSAGTLLQPMI-WTNAPCKOSA-N 2 2 365.521 2.741 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)[C@@H]1C ZINC001088631535 982037352 /nfs/dbraw/zinc/03/73/52/982037352.db2.gz QJFOSAGTLLQPMI-WTNAPCKOSA-N 2 2 365.521 2.741 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C2CC2)[C@@H]1C ZINC001088631535 982037361 /nfs/dbraw/zinc/03/73/61/982037361.db2.gz QJFOSAGTLLQPMI-WTNAPCKOSA-N 2 2 365.521 2.741 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C2CC2)[C@@H]1C ZINC001088631535 982037369 /nfs/dbraw/zinc/03/73/69/982037369.db2.gz QJFOSAGTLLQPMI-WTNAPCKOSA-N 2 2 365.521 2.741 20 30 FFEDLP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001105563873 982412711 /nfs/dbraw/zinc/41/27/11/982412711.db2.gz SUSVBVJOORSXCO-GGPKGHCWSA-N 2 2 368.525 2.688 20 30 FFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000083031511 982778802 /nfs/dbraw/zinc/77/88/02/982778802.db2.gz IVMGZBAWRPPCDO-ROUUACIJSA-N 2 2 356.445 2.857 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561079 984700615 /nfs/dbraw/zinc/70/06/15/984700615.db2.gz CRIYTZIXFWMNIF-JFIYKMOQSA-N 2 2 350.894 2.948 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107561079 984700619 /nfs/dbraw/zinc/70/06/19/984700619.db2.gz CRIYTZIXFWMNIF-JFIYKMOQSA-N 2 2 350.894 2.948 20 30 FFEDLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897310 985375967 /nfs/dbraw/zinc/37/59/67/985375967.db2.gz CZQNNWJZOWRALC-OPYAIIAOSA-N 2 2 368.525 2.902 20 30 FFEDLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897310 985375981 /nfs/dbraw/zinc/37/59/81/985375981.db2.gz CZQNNWJZOWRALC-OPYAIIAOSA-N 2 2 368.525 2.902 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079201903 991876836 /nfs/dbraw/zinc/87/68/36/991876836.db2.gz IGUNGUOZAODCCT-UIAACRFSSA-N 2 2 370.472 2.888 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079201903 991876848 /nfs/dbraw/zinc/87/68/48/991876848.db2.gz IGUNGUOZAODCCT-UIAACRFSSA-N 2 2 370.472 2.888 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001079879153 992521795 /nfs/dbraw/zinc/52/17/95/992521795.db2.gz BYVFAEBGDHXBIN-QIJUGHKUSA-N 2 2 367.537 2.844 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001079879153 992521806 /nfs/dbraw/zinc/52/18/06/992521806.db2.gz BYVFAEBGDHXBIN-QIJUGHKUSA-N 2 2 367.537 2.844 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001079879153 992521817 /nfs/dbraw/zinc/52/18/17/992521817.db2.gz BYVFAEBGDHXBIN-QIJUGHKUSA-N 2 2 367.537 2.844 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C(C)C)C[C@H]1C ZINC001079879153 992521827 /nfs/dbraw/zinc/52/18/27/992521827.db2.gz BYVFAEBGDHXBIN-QIJUGHKUSA-N 2 2 367.537 2.844 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001079878327 992521860 /nfs/dbraw/zinc/52/18/60/992521860.db2.gz SMTYQVLYWZPVKK-FCEUIQTBSA-N 2 2 367.537 2.646 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001079878327 992521870 /nfs/dbraw/zinc/52/18/70/992521870.db2.gz SMTYQVLYWZPVKK-FCEUIQTBSA-N 2 2 367.537 2.646 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001079878327 992521879 /nfs/dbraw/zinc/52/18/79/992521879.db2.gz SMTYQVLYWZPVKK-FCEUIQTBSA-N 2 2 367.537 2.646 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001079878327 992521889 /nfs/dbraw/zinc/52/18/89/992521889.db2.gz SMTYQVLYWZPVKK-FCEUIQTBSA-N 2 2 367.537 2.646 20 30 FFEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)c1 ZINC001084452657 996562087 /nfs/dbraw/zinc/56/20/87/996562087.db2.gz PTXKYPLKPABPDL-DYESRHJHSA-N 2 2 371.444 2.781 20 30 FFEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)c1 ZINC001084452657 996562093 /nfs/dbraw/zinc/56/20/93/996562093.db2.gz PTXKYPLKPABPDL-DYESRHJHSA-N 2 2 371.444 2.781 20 30 FFEDLP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794063 1016204047 /nfs/dbraw/zinc/20/40/47/1016204047.db2.gz ZFOFTXFHOWKTGU-HXUWFJFHSA-N 2 2 363.461 2.765 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001085066831 998832275 /nfs/dbraw/zinc/83/22/75/998832275.db2.gz RWYQLXUHOQZNRX-XLIONFOSSA-N 2 2 350.466 2.985 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]21 ZINC001085066831 998832280 /nfs/dbraw/zinc/83/22/80/998832280.db2.gz RWYQLXUHOQZNRX-XLIONFOSSA-N 2 2 350.466 2.985 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001085391720 999448198 /nfs/dbraw/zinc/44/81/98/999448198.db2.gz QLFMHGPTSIXZEF-HZPDHXFCSA-N 2 2 359.861 2.650 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001109308313 1000253892 /nfs/dbraw/zinc/25/38/92/1000253892.db2.gz UIMJHFASQNZAAA-YSHGAJCASA-N 2 2 356.514 2.838 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001109308313 1000253894 /nfs/dbraw/zinc/25/38/94/1000253894.db2.gz UIMJHFASQNZAAA-YSHGAJCASA-N 2 2 356.514 2.838 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000846837381 1000454175 /nfs/dbraw/zinc/45/41/75/1000454175.db2.gz ZCCVFYPFCYRRCR-MSOLQXFVSA-N 2 2 365.481 2.853 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000846837381 1000454178 /nfs/dbraw/zinc/45/41/78/1000454178.db2.gz ZCCVFYPFCYRRCR-MSOLQXFVSA-N 2 2 365.481 2.853 20 30 FFEDLP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183832732 1002404068 /nfs/dbraw/zinc/40/40/68/1002404068.db2.gz WTYDOXUBHUGYNU-OAQYLSRUSA-N 2 2 368.525 2.713 20 30 FFEDLP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183832732 1002404076 /nfs/dbraw/zinc/40/40/76/1002404076.db2.gz WTYDOXUBHUGYNU-OAQYLSRUSA-N 2 2 368.525 2.713 20 30 FFEDLP C[NH+](C)CCCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183839485 1002406916 /nfs/dbraw/zinc/40/69/16/1002406916.db2.gz XLBJDMAKKDHPFT-HXUWFJFHSA-N 2 2 356.514 2.761 20 30 FFEDLP C[NH+](C)CCCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183839485 1002406919 /nfs/dbraw/zinc/40/69/19/1002406919.db2.gz XLBJDMAKKDHPFT-HXUWFJFHSA-N 2 2 356.514 2.761 20 30 FFEDLP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1OC ZINC001198759657 1004732655 /nfs/dbraw/zinc/73/26/55/1004732655.db2.gz JNOZPIZZUQXHJT-JFIYKMOQSA-N 2 2 354.454 2.545 20 30 FFEDLP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@]2(C)COc3ccccc3[C@@H]2[N@@H+]1C ZINC001187635753 1006181484 /nfs/dbraw/zinc/18/14/84/1006181484.db2.gz ANDGQJAEVJURBK-PBNJOUANSA-N 2 2 369.509 2.597 20 30 FFEDLP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[C@]2(C)COc3ccccc3[C@@H]2[N@H+]1C ZINC001187635753 1006181489 /nfs/dbraw/zinc/18/14/89/1006181489.db2.gz ANDGQJAEVJURBK-PBNJOUANSA-N 2 2 369.509 2.597 20 30 FFEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@]2(C)COc3ccccc3[C@@H]2[NH+]1C ZINC001187635753 1006181493 /nfs/dbraw/zinc/18/14/93/1006181493.db2.gz ANDGQJAEVJURBK-PBNJOUANSA-N 2 2 369.509 2.597 20 30 FFEDLP CC[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CCN(c2cccc[nH+]2)CC1 ZINC000131025999 1006654328 /nfs/dbraw/zinc/65/43/28/1006654328.db2.gz YLSWJCWXZFVUNP-DYESRHJHSA-N 2 2 373.545 2.809 20 30 FFEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819184186 1008060921 /nfs/dbraw/zinc/06/09/21/1008060921.db2.gz WOJLKCYDUMWGGG-KKSFZXQISA-N 2 2 350.466 2.802 20 30 FFEDLP C#CCC[NH+]1CCC(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000819881807 1008241714 /nfs/dbraw/zinc/24/17/14/1008241714.db2.gz NBVOPGFTGRNQTD-IBGZPJMESA-N 2 2 350.466 2.536 20 30 FFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000104153806 1009927549 /nfs/dbraw/zinc/92/75/49/1009927549.db2.gz ASQQKXZPUWADSM-KRWDZBQOSA-N 2 2 354.454 2.877 20 30 FFEDLP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093372633 1010231200 /nfs/dbraw/zinc/23/12/00/1010231200.db2.gz GDRHKEKMBVQQPF-QWFCFKBJSA-N 2 2 366.509 2.630 20 30 FFEDLP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093372633 1010231208 /nfs/dbraw/zinc/23/12/08/1010231208.db2.gz GDRHKEKMBVQQPF-QWFCFKBJSA-N 2 2 366.509 2.630 20 30 FFEDLP C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093372633 1010231215 /nfs/dbraw/zinc/23/12/15/1010231215.db2.gz GDRHKEKMBVQQPF-QWFCFKBJSA-N 2 2 366.509 2.630 20 30 FFEDLP C#CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093372633 1010231223 /nfs/dbraw/zinc/23/12/23/1010231223.db2.gz GDRHKEKMBVQQPF-QWFCFKBJSA-N 2 2 366.509 2.630 20 30 FFEDLP CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000865418307 1010780705 /nfs/dbraw/zinc/78/07/05/1010780705.db2.gz YQHPIQLPPJYYIV-UHFFFAOYSA-N 2 2 364.493 2.746 20 30 FFEDLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094078883 1010838582 /nfs/dbraw/zinc/83/85/82/1010838582.db2.gz IYNVSZYADBPPQH-BZUAXINKSA-N 2 2 371.510 2.652 20 30 FFEDLP CCCCCCC[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275114336 1011954833 /nfs/dbraw/zinc/95/48/33/1011954833.db2.gz MHVNGNLZXLCDFU-HXUWFJFHSA-N 2 2 360.502 2.732 20 30 FFEDLP CCCCCCC[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275114336 1011954840 /nfs/dbraw/zinc/95/48/40/1011954840.db2.gz MHVNGNLZXLCDFU-HXUWFJFHSA-N 2 2 360.502 2.732 20 30 FFEDLP CN(C)C(NCc1cccc(C[NH+]2CCOCC2)c1)=[NH+]Cc1ccccc1 ZINC000303909466 1012517319 /nfs/dbraw/zinc/51/73/19/1012517319.db2.gz YFGDRBFOCVDKJS-UHFFFAOYSA-N 2 2 366.509 2.726 20 30 FFEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001095240943 1012819557 /nfs/dbraw/zinc/81/95/57/1012819557.db2.gz KFAWEFHSIXJUSS-FYQPLNBISA-N 2 2 371.912 2.507 20 30 FFEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001095240943 1012819577 /nfs/dbraw/zinc/81/95/77/1012819577.db2.gz KFAWEFHSIXJUSS-FYQPLNBISA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001095240943 1012819594 /nfs/dbraw/zinc/81/95/94/1012819594.db2.gz KFAWEFHSIXJUSS-FYQPLNBISA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001095240943 1012819601 /nfs/dbraw/zinc/81/96/01/1012819601.db2.gz KFAWEFHSIXJUSS-FYQPLNBISA-N 2 2 371.912 2.507 20 30 FFEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001097177229 1017149403 /nfs/dbraw/zinc/14/94/03/1017149403.db2.gz KLYMJICLEUGDIY-DQEVTTJGSA-N 2 2 372.538 2.716 20 30 FFEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001097177229 1017149412 /nfs/dbraw/zinc/14/94/12/1017149412.db2.gz KLYMJICLEUGDIY-DQEVTTJGSA-N 2 2 372.538 2.716 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097177229 1017149420 /nfs/dbraw/zinc/14/94/20/1017149420.db2.gz KLYMJICLEUGDIY-DQEVTTJGSA-N 2 2 372.538 2.716 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097177229 1017149428 /nfs/dbraw/zinc/14/94/28/1017149428.db2.gz KLYMJICLEUGDIY-DQEVTTJGSA-N 2 2 372.538 2.716 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)cc(C)c1 ZINC001097247674 1017246669 /nfs/dbraw/zinc/24/66/69/1017246669.db2.gz GSKYJQWVBKYWEM-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)cc(C)c1 ZINC001097247674 1017246680 /nfs/dbraw/zinc/24/66/80/1017246680.db2.gz GSKYJQWVBKYWEM-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)cc(C)c1 ZINC001097247674 1017246690 /nfs/dbraw/zinc/24/66/90/1017246690.db2.gz GSKYJQWVBKYWEM-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)cc(C)c1 ZINC001097247674 1017246703 /nfs/dbraw/zinc/24/67/03/1017246703.db2.gz GSKYJQWVBKYWEM-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[NH+]1CCCC1 ZINC000924562192 1017356891 /nfs/dbraw/zinc/35/68/91/1017356891.db2.gz RXCALVOKQNKZLU-KRWDZBQOSA-N 2 2 364.534 2.991 20 30 FFEDLP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)c1 ZINC001097336782 1017361512 /nfs/dbraw/zinc/36/15/12/1017361512.db2.gz OHEJMXBJXIXMHI-QFUCXCTJSA-N 2 2 371.444 2.970 20 30 FFEDLP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)c1 ZINC001097336782 1017361515 /nfs/dbraw/zinc/36/15/15/1017361515.db2.gz OHEJMXBJXIXMHI-QFUCXCTJSA-N 2 2 371.444 2.970 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@H]2C1 ZINC001048826592 1020532965 /nfs/dbraw/zinc/53/29/65/1020532965.db2.gz JFJOTSDEJADLDG-YSTOQKLRSA-N 2 2 368.525 2.510 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@H]2C1 ZINC001048826592 1020532970 /nfs/dbraw/zinc/53/29/70/1020532970.db2.gz JFJOTSDEJADLDG-YSTOQKLRSA-N 2 2 368.525 2.510 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCN4CCSC[C@@H]34)CC2)cc1 ZINC000903270204 1020772271 /nfs/dbraw/zinc/77/22/71/1020772271.db2.gz BTKXXSVOENJCSV-RTWAWAEBSA-N 2 2 370.566 2.692 20 30 FFEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001098461666 1020928322 /nfs/dbraw/zinc/92/83/22/1020928322.db2.gz KGEGATVRUYDJEX-YUMYIRISSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001098461666 1020928330 /nfs/dbraw/zinc/92/83/30/1020928330.db2.gz KGEGATVRUYDJEX-YUMYIRISSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001098461666 1020928339 /nfs/dbraw/zinc/92/83/39/1020928339.db2.gz KGEGATVRUYDJEX-YUMYIRISSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001098461666 1020928343 /nfs/dbraw/zinc/92/83/43/1020928343.db2.gz KGEGATVRUYDJEX-YUMYIRISSA-N 2 2 365.521 2.634 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)CC3CCOCC3)CC2)cc1 ZINC001116826058 1021439177 /nfs/dbraw/zinc/43/91/77/1021439177.db2.gz WGYKJBMFRYFCJI-OAQYLSRUSA-N 2 2 371.525 2.537 20 30 FFEDLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001111465341 1021697898 /nfs/dbraw/zinc/69/78/98/1021697898.db2.gz QFWYALRHZWEPPA-AQNXPRMDSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001111465341 1021697908 /nfs/dbraw/zinc/69/79/08/1021697908.db2.gz QFWYALRHZWEPPA-AQNXPRMDSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001111465341 1021697912 /nfs/dbraw/zinc/69/79/12/1021697912.db2.gz QFWYALRHZWEPPA-AQNXPRMDSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001111465341 1021697920 /nfs/dbraw/zinc/69/79/20/1021697920.db2.gz QFWYALRHZWEPPA-AQNXPRMDSA-N 2 2 373.928 2.753 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C(F)(F)F ZINC001099252990 1022168396 /nfs/dbraw/zinc/16/83/96/1022168396.db2.gz XZTKUWYDSNEPSJ-HUUCEWRRSA-N 2 2 366.387 2.811 20 30 FFEDLP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)CC1 ZINC001040705139 1022956614 /nfs/dbraw/zinc/95/66/14/1022956614.db2.gz DKDIWXFTPYWDFR-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001122537260 1023326087 /nfs/dbraw/zinc/32/60/87/1023326087.db2.gz SCLSVULZLXQESN-LJQANCHMSA-N 2 2 372.561 2.905 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101449018 1024775718 /nfs/dbraw/zinc/77/57/18/1024775718.db2.gz XKPKGVGOSZZIEH-NQIIRXRSSA-N 2 2 358.530 2.879 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001101449018 1024775727 /nfs/dbraw/zinc/77/57/27/1024775727.db2.gz XKPKGVGOSZZIEH-NQIIRXRSSA-N 2 2 358.530 2.879 20 30 FFEDLP C=CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001162935223 1028716726 /nfs/dbraw/zinc/71/67/26/1028716726.db2.gz VDPISZAJVVTGNX-WOJBJXKFSA-N 2 2 366.509 2.761 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157746336 1029654929 /nfs/dbraw/zinc/65/49/29/1029654929.db2.gz QBGBYPLEVQDSHJ-FPOVZHCZSA-N 2 2 372.488 2.592 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157746336 1029654930 /nfs/dbraw/zinc/65/49/30/1029654930.db2.gz QBGBYPLEVQDSHJ-FPOVZHCZSA-N 2 2 372.488 2.592 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001112176946 1030151574 /nfs/dbraw/zinc/15/15/74/1030151574.db2.gz HMSLEUMYEJOSOA-NWANDNLSSA-N 2 2 358.408 2.533 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112176946 1030151581 /nfs/dbraw/zinc/15/15/81/1030151581.db2.gz HMSLEUMYEJOSOA-NWANDNLSSA-N 2 2 358.408 2.533 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205467801 1031768943 /nfs/dbraw/zinc/76/89/43/1031768943.db2.gz XAXVFXRMHYYLGX-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205467801 1031768956 /nfs/dbraw/zinc/76/89/56/1031768956.db2.gz XAXVFXRMHYYLGX-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205467801 1031768958 /nfs/dbraw/zinc/76/89/58/1031768958.db2.gz XAXVFXRMHYYLGX-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205467801 1031768966 /nfs/dbraw/zinc/76/89/66/1031768966.db2.gz XAXVFXRMHYYLGX-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1C#C[Si](C)(C)C ZINC001219483400 1033664276 /nfs/dbraw/zinc/66/42/76/1033664276.db2.gz WCTCXZLBUJLJSD-INIZCTEOSA-N 2 2 374.948 2.811 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001221942670 1035171048 /nfs/dbraw/zinc/17/10/48/1035171048.db2.gz VEOCKMNUFQFDSQ-MBOZVWFJSA-N 2 2 365.481 2.768 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001221942670 1035171051 /nfs/dbraw/zinc/17/10/51/1035171051.db2.gz VEOCKMNUFQFDSQ-MBOZVWFJSA-N 2 2 365.481 2.768 20 30 FFEDLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc(C#N)nc3)CC[C@@H]21 ZINC001140543200 1035599812 /nfs/dbraw/zinc/59/98/12/1035599812.db2.gz LZCNFPVOSHMEOK-GIVPXCGWSA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc(C#N)nc3)CC[C@@H]21 ZINC001140543200 1035599816 /nfs/dbraw/zinc/59/98/16/1035599816.db2.gz LZCNFPVOSHMEOK-GIVPXCGWSA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc(C#N)nc3)CC[C@@H]21 ZINC001140543200 1035599832 /nfs/dbraw/zinc/59/98/32/1035599832.db2.gz LZCNFPVOSHMEOK-GIVPXCGWSA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc(C#N)nc3)CC[C@@H]21 ZINC001140543200 1035599838 /nfs/dbraw/zinc/59/98/38/1035599838.db2.gz LZCNFPVOSHMEOK-GIVPXCGWSA-N 2 2 364.497 2.523 20 30 FFEDLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001230347498 1037239511 /nfs/dbraw/zinc/23/95/11/1037239511.db2.gz BKSGWHBUEIKVJM-RTBURBONSA-N 2 2 370.884 2.605 20 30 FFEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001208068035 1037995426 /nfs/dbraw/zinc/99/54/26/1037995426.db2.gz VGDFYAJVVNXESL-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=CCOC(=O)CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C(=O)OCC=C ZINC001258903523 1039574005 /nfs/dbraw/zinc/57/40/05/1039574005.db2.gz SMHINAYYSGSXCI-MSOLQXFVSA-N 2 2 368.518 2.694 20 30 FFEDLP N#Cc1ccc(C[C@H]([NH3+])Cc2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1 ZINC001248156540 1040151783 /nfs/dbraw/zinc/15/17/83/1040151783.db2.gz GZEAVAVAFPKYPN-KRWDZBQOSA-N 2 2 370.416 2.906 20 30 FFEDLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664454 1040864791 /nfs/dbraw/zinc/86/47/91/1040864791.db2.gz HWYYOHURJHOBEF-PSBWJHGTSA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@@H]4CC[C@@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664454 1040864804 /nfs/dbraw/zinc/86/48/04/1040864804.db2.gz HWYYOHURJHOBEF-PSBWJHGTSA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@@H]4CC[C@@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664454 1040864813 /nfs/dbraw/zinc/86/48/13/1040864813.db2.gz HWYYOHURJHOBEF-PSBWJHGTSA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@@H]4CC[C@@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664454 1040864827 /nfs/dbraw/zinc/86/48/27/1040864827.db2.gz HWYYOHURJHOBEF-PSBWJHGTSA-N 2 2 360.527 2.667 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339528322 1043467790 /nfs/dbraw/zinc/46/77/90/1043467790.db2.gz IVBIIBKYCRDIME-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001339528322 1043467793 /nfs/dbraw/zinc/46/77/93/1043467793.db2.gz IVBIIBKYCRDIME-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP COc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1C#N ZINC001238407270 1043690954 /nfs/dbraw/zinc/69/09/54/1043690954.db2.gz VDPSSVCCCJGMTL-NRFANRHFSA-N 2 2 357.498 2.890 20 30 FFEDLP COc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)ccc1C#N ZINC001238407270 1043690961 /nfs/dbraw/zinc/69/09/61/1043690961.db2.gz VDPSSVCCCJGMTL-NRFANRHFSA-N 2 2 357.498 2.890 20 30 FFEDLP COc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](C(C)C)C3)ccc1C#N ZINC001238407270 1043690967 /nfs/dbraw/zinc/69/09/67/1043690967.db2.gz VDPSSVCCCJGMTL-NRFANRHFSA-N 2 2 357.498 2.890 20 30 FFEDLP COc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)ccc1C#N ZINC001238407270 1043690972 /nfs/dbraw/zinc/69/09/72/1043690972.db2.gz VDPSSVCCCJGMTL-NRFANRHFSA-N 2 2 357.498 2.890 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1CC ZINC001316738088 1044877346 /nfs/dbraw/zinc/87/73/46/1044877346.db2.gz DFIRYVIMEGIBDB-RBUKOAKNSA-N 2 2 363.933 2.883 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@H]1CC ZINC001316738088 1044877368 /nfs/dbraw/zinc/87/73/68/1044877368.db2.gz DFIRYVIMEGIBDB-RBUKOAKNSA-N 2 2 363.933 2.883 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@H]1CC ZINC001316738088 1044877389 /nfs/dbraw/zinc/87/73/89/1044877389.db2.gz DFIRYVIMEGIBDB-RBUKOAKNSA-N 2 2 363.933 2.883 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1CC ZINC001316738088 1044877403 /nfs/dbraw/zinc/87/74/03/1044877403.db2.gz DFIRYVIMEGIBDB-RBUKOAKNSA-N 2 2 363.933 2.883 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C)[NH+](CC)CC ZINC001316793586 1044994608 /nfs/dbraw/zinc/99/46/08/1044994608.db2.gz ZVNNBFITLWJSDK-LSTHTHJFSA-N 2 2 356.514 2.758 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C)[NH+](CC)CC ZINC001316793586 1044994620 /nfs/dbraw/zinc/99/46/20/1044994620.db2.gz ZVNNBFITLWJSDK-LSTHTHJFSA-N 2 2 356.514 2.758 20 30 FFEDLP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3F)c2)CC1 ZINC001323470753 1045602948 /nfs/dbraw/zinc/60/29/48/1045602948.db2.gz GTJQRCMWXOQHKW-UHFFFAOYSA-N 2 2 352.457 2.735 20 30 FFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001325629731 1046585770 /nfs/dbraw/zinc/58/57/70/1046585770.db2.gz NKKZFLFTCRLBKO-RHQZKXFESA-N 2 2 356.514 2.849 20 30 FFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001325629731 1046585785 /nfs/dbraw/zinc/58/57/85/1046585785.db2.gz NKKZFLFTCRLBKO-RHQZKXFESA-N 2 2 356.514 2.849 20 30 FFEDLP C=CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CCCC1 ZINC001560001273 1076212558 /nfs/dbraw/zinc/21/25/58/1076212558.db2.gz CCDUWMKTEAKEEE-UHFFFAOYSA-N 2 2 371.525 2.818 20 30 FFEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC001560234994 1076253291 /nfs/dbraw/zinc/25/32/91/1076253291.db2.gz WDXWSSIQUBINQR-ROUUACIJSA-N 2 2 374.529 2.889 20 30 FFEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC001560234994 1076253294 /nfs/dbraw/zinc/25/32/94/1076253294.db2.gz WDXWSSIQUBINQR-ROUUACIJSA-N 2 2 374.529 2.889 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C#N)ccc3Cl)CC2)CC1 ZINC000285962351 257013386 /nfs/dbraw/zinc/01/33/86/257013386.db2.gz KRVDIUMIHNASTF-UHFFFAOYSA-N 2 2 360.889 2.500 20 30 FFEDLP C=CCOc1ccccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050798926 507713027 /nfs/dbraw/zinc/71/30/27/507713027.db2.gz SYIONIBCGZSBKN-UHFFFAOYSA-N 2 2 357.498 2.540 20 30 FFEDLP C=CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760359 507783651 /nfs/dbraw/zinc/78/36/51/507783651.db2.gz TUSAKOSXFWZFOL-UHFFFAOYSA-N 2 2 370.541 2.943 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000090004232 507900670 /nfs/dbraw/zinc/90/06/70/507900670.db2.gz KHRGTNOBHSOVCI-GOSISDBHSA-N 2 2 365.481 2.621 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000090004232 507900672 /nfs/dbraw/zinc/90/06/72/507900672.db2.gz KHRGTNOBHSOVCI-GOSISDBHSA-N 2 2 365.481 2.621 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080293316 508063315 /nfs/dbraw/zinc/06/33/15/508063315.db2.gz YXLJOJXIXUUDLS-HBGVWJBISA-N 2 2 362.477 2.727 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080293316 508063316 /nfs/dbraw/zinc/06/33/16/508063316.db2.gz YXLJOJXIXUUDLS-HBGVWJBISA-N 2 2 362.477 2.727 20 30 FFEDLP C=CCc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc(OC)c1O ZINC000093017397 508114423 /nfs/dbraw/zinc/11/44/23/508114423.db2.gz AKXPLSYLQRJSAH-QGZVFWFLSA-N 2 2 360.498 2.674 20 30 FFEDLP C=CCc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc(OC)c1O ZINC000093017397 508114426 /nfs/dbraw/zinc/11/44/26/508114426.db2.gz AKXPLSYLQRJSAH-QGZVFWFLSA-N 2 2 360.498 2.674 20 30 FFEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147222 508124593 /nfs/dbraw/zinc/12/45/93/508124593.db2.gz SRGBBVMWYZRROR-AZUAARDMSA-N 2 2 356.514 2.579 20 30 FFEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093147222 508124596 /nfs/dbraw/zinc/12/45/96/508124596.db2.gz SRGBBVMWYZRROR-AZUAARDMSA-N 2 2 356.514 2.579 20 30 FFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)[C@H](C)C1 ZINC000081095125 508137179 /nfs/dbraw/zinc/13/71/79/508137179.db2.gz XWKLCHSPHLNEGM-NVXWUHKLSA-N 2 2 360.527 2.903 20 30 FFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)[C@H](C)C1 ZINC000081095125 508137181 /nfs/dbraw/zinc/13/71/81/508137181.db2.gz XWKLCHSPHLNEGM-NVXWUHKLSA-N 2 2 360.527 2.903 20 30 FFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)[C@H](C)C1 ZINC000081095125 508137184 /nfs/dbraw/zinc/13/71/84/508137184.db2.gz XWKLCHSPHLNEGM-NVXWUHKLSA-N 2 2 360.527 2.903 20 30 FFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)[C@H](C)C1 ZINC000081095125 508137186 /nfs/dbraw/zinc/13/71/86/508137186.db2.gz XWKLCHSPHLNEGM-NVXWUHKLSA-N 2 2 360.527 2.903 20 30 FFEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(C#N)c1 ZINC000114455801 508315652 /nfs/dbraw/zinc/31/56/52/508315652.db2.gz UYQFRWASKNGEJO-UHFFFAOYSA-N 2 2 354.498 2.535 20 30 FFEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(C#N)c1 ZINC000114455801 508315655 /nfs/dbraw/zinc/31/56/55/508315655.db2.gz UYQFRWASKNGEJO-UHFFFAOYSA-N 2 2 354.498 2.535 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152372892 508433809 /nfs/dbraw/zinc/43/38/09/508433809.db2.gz HZQWLASENRUZJL-IAGOWNOFSA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152372892 508433813 /nfs/dbraw/zinc/43/38/13/508433813.db2.gz HZQWLASENRUZJL-IAGOWNOFSA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152372892 508433817 /nfs/dbraw/zinc/43/38/17/508433817.db2.gz HZQWLASENRUZJL-IAGOWNOFSA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152372892 508433820 /nfs/dbraw/zinc/43/38/20/508433820.db2.gz HZQWLASENRUZJL-IAGOWNOFSA-N 2 2 360.477 2.734 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000157591848 508585006 /nfs/dbraw/zinc/58/50/06/508585006.db2.gz WUKMHWUPVUBKLV-HDICACEKSA-N 2 2 356.514 2.557 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000157591848 508585009 /nfs/dbraw/zinc/58/50/09/508585009.db2.gz WUKMHWUPVUBKLV-HDICACEKSA-N 2 2 356.514 2.557 20 30 FFEDLP CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000155223384 508951805 /nfs/dbraw/zinc/95/18/05/508951805.db2.gz QEEBOJVUVQHNAJ-MSOLQXFVSA-N 2 2 356.514 2.637 20 30 FFEDLP CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000155223384 508951808 /nfs/dbraw/zinc/95/18/08/508951808.db2.gz QEEBOJVUVQHNAJ-MSOLQXFVSA-N 2 2 356.514 2.637 20 30 FFEDLP C=CCC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000180781944 510105670 /nfs/dbraw/zinc/10/56/70/510105670.db2.gz FBXQQEXHAFEIBG-RTBURBONSA-N 2 2 371.529 2.616 20 30 FFEDLP CC[NH+]=C(NCCc1csc(C)n1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261931718 510119192 /nfs/dbraw/zinc/11/91/92/510119192.db2.gz BOCALNDGSCFATM-RHSMWYFYSA-N 2 2 360.531 2.739 20 30 FFEDLP N#Cc1csc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000177691712 510202112 /nfs/dbraw/zinc/20/21/12/510202112.db2.gz UTKQVBUUIIMENA-UHFFFAOYSA-N 2 2 357.479 2.621 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000265760353 510215439 /nfs/dbraw/zinc/21/54/39/510215439.db2.gz CLJAWJGWOSTHPG-UHFFFAOYSA-N 2 2 369.469 2.734 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOC[C@H]3CCCO3)CC2)cc1 ZINC000181420825 510400619 /nfs/dbraw/zinc/40/06/19/510400619.db2.gz TXMLCERUFFQNDC-OAQYLSRUSA-N 2 2 357.498 2.698 20 30 FFEDLP C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000187775276 510429194 /nfs/dbraw/zinc/42/91/94/510429194.db2.gz VHGUPNHZFYKCKT-KDOFPFPSSA-N 2 2 351.441 2.724 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000270127665 510685736 /nfs/dbraw/zinc/68/57/36/510685736.db2.gz GQKOURGBCBAIAP-LAUBAEHRSA-N 2 2 367.497 2.864 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000270127665 510685741 /nfs/dbraw/zinc/68/57/41/510685741.db2.gz GQKOURGBCBAIAP-LAUBAEHRSA-N 2 2 367.497 2.864 20 30 FFEDLP COc1cc(C#N)ccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188281230 510686757 /nfs/dbraw/zinc/68/67/57/510686757.db2.gz KXSJJGILVYQDFA-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C#N)ccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188281230 510686766 /nfs/dbraw/zinc/68/67/66/510686766.db2.gz KXSJJGILVYQDFA-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188281230 510686770 /nfs/dbraw/zinc/68/67/70/510686770.db2.gz KXSJJGILVYQDFA-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188281230 510686781 /nfs/dbraw/zinc/68/67/81/510686781.db2.gz KXSJJGILVYQDFA-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP C[N@H+](CCOc1cccc(C#N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188294303 510694631 /nfs/dbraw/zinc/69/46/31/510694631.db2.gz FJJWYNYOBIXRHA-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[N@@H+](CCOc1cccc(C#N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188294303 510694635 /nfs/dbraw/zinc/69/46/35/510694635.db2.gz FJJWYNYOBIXRHA-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1cccc(C#N)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188294303 510694645 /nfs/dbraw/zinc/69/46/45/510694645.db2.gz FJJWYNYOBIXRHA-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1cccc(C#N)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188294303 510694651 /nfs/dbraw/zinc/69/46/51/510694651.db2.gz FJJWYNYOBIXRHA-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000247015311 510800055 /nfs/dbraw/zinc/80/00/55/510800055.db2.gz XQINITVBQONRJI-WMQCIHAUSA-N 2 2 364.493 2.612 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000247015311 510800059 /nfs/dbraw/zinc/80/00/59/510800059.db2.gz XQINITVBQONRJI-WMQCIHAUSA-N 2 2 364.493 2.612 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000247015311 510800067 /nfs/dbraw/zinc/80/00/67/510800067.db2.gz XQINITVBQONRJI-WMQCIHAUSA-N 2 2 364.493 2.612 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247321803 510857003 /nfs/dbraw/zinc/85/70/03/510857003.db2.gz WFIOBNFGHQBOCU-XPKGASNUSA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247321803 510857004 /nfs/dbraw/zinc/85/70/04/510857004.db2.gz WFIOBNFGHQBOCU-XPKGASNUSA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247321803 510857005 /nfs/dbraw/zinc/85/70/05/510857005.db2.gz WFIOBNFGHQBOCU-XPKGASNUSA-N 2 2 360.546 2.722 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247321803 510857006 /nfs/dbraw/zinc/85/70/06/510857006.db2.gz WFIOBNFGHQBOCU-XPKGASNUSA-N 2 2 360.546 2.722 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000247555795 510865588 /nfs/dbraw/zinc/86/55/88/510865588.db2.gz FNFZRZPLYMMMGS-IAGOWNOFSA-N 2 2 357.502 2.814 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000247555795 510865589 /nfs/dbraw/zinc/86/55/89/510865589.db2.gz FNFZRZPLYMMMGS-IAGOWNOFSA-N 2 2 357.502 2.814 20 30 FFEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329936201 510881125 /nfs/dbraw/zinc/88/11/25/510881125.db2.gz CYEQVJHOIWOUJT-SFHVURJKSA-N 2 2 353.470 2.704 20 30 FFEDLP C=C(C)COc1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1OC ZINC000362376427 511182358 /nfs/dbraw/zinc/18/23/58/511182358.db2.gz NTLIOAOOQPAULQ-FQEVSTJZSA-N 2 2 373.541 2.862 20 30 FFEDLP C=C(C)COc1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1OC ZINC000362376427 511182359 /nfs/dbraw/zinc/18/23/59/511182359.db2.gz NTLIOAOOQPAULQ-FQEVSTJZSA-N 2 2 373.541 2.862 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1C ZINC000292075361 511455619 /nfs/dbraw/zinc/45/56/19/511455619.db2.gz FBCADHZDOGSXQT-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1C ZINC000292075361 511455625 /nfs/dbraw/zinc/45/56/25/511455625.db2.gz FBCADHZDOGSXQT-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC000292075361 511455627 /nfs/dbraw/zinc/45/56/27/511455627.db2.gz FBCADHZDOGSXQT-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1C ZINC000292075361 511455631 /nfs/dbraw/zinc/45/56/31/511455631.db2.gz FBCADHZDOGSXQT-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000272569054 511500358 /nfs/dbraw/zinc/50/03/58/511500358.db2.gz MTZXBLWHVNNLOF-UHFFFAOYSA-N 2 2 368.525 2.655 20 30 FFEDLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000272569054 511500364 /nfs/dbraw/zinc/50/03/64/511500364.db2.gz MTZXBLWHVNNLOF-UHFFFAOYSA-N 2 2 368.525 2.655 20 30 FFEDLP CCC[NH+]1CCC(CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000329483272 512056075 /nfs/dbraw/zinc/05/60/75/512056075.db2.gz WKNGTTRVYDPEHF-SFHVURJKSA-N 2 2 373.545 2.796 20 30 FFEDLP C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329717663 512089840 /nfs/dbraw/zinc/08/98/40/512089840.db2.gz XVLZZOKMIYOTGP-HOTGVXAUSA-N 2 2 359.518 2.876 20 30 FFEDLP C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329717663 512089844 /nfs/dbraw/zinc/08/98/44/512089844.db2.gz XVLZZOKMIYOTGP-HOTGVXAUSA-N 2 2 359.518 2.876 20 30 FFEDLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC000329787619 512097857 /nfs/dbraw/zinc/09/78/57/512097857.db2.gz RHBCPVQKGUIIHV-QGZVFWFLSA-N 2 2 360.502 2.746 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)C(C)C ZINC000411148927 512491467 /nfs/dbraw/zinc/49/14/67/512491467.db2.gz UASJYRRMIMKEEO-GOSISDBHSA-N 2 2 372.513 2.760 20 30 FFEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(F)c(C#N)c3Cl)[nH+]c2)C1 ZINC000428871597 513213756 /nfs/dbraw/zinc/21/37/56/513213756.db2.gz JLGQBBQEAWKLPX-OAHLLOKOSA-N 2 2 373.863 2.920 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(F)c1C#N ZINC000428975901 513237479 /nfs/dbraw/zinc/23/74/79/513237479.db2.gz KKAPXIXUNBFDJL-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(F)c1C#N ZINC000428975901 513237483 /nfs/dbraw/zinc/23/74/83/513237483.db2.gz KKAPXIXUNBFDJL-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP COc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000442857670 513797044 /nfs/dbraw/zinc/79/70/44/513797044.db2.gz UCTAITHXFUXZOK-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1C#N ZINC000442857670 513797048 /nfs/dbraw/zinc/79/70/48/513797048.db2.gz UCTAITHXFUXZOK-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000442857670 513797050 /nfs/dbraw/zinc/79/70/50/513797050.db2.gz UCTAITHXFUXZOK-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000442857670 513797053 /nfs/dbraw/zinc/79/70/53/513797053.db2.gz UCTAITHXFUXZOK-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000414308074 514043123 /nfs/dbraw/zinc/04/31/23/514043123.db2.gz SHNJFDCQMLOMBS-JOCHJYFZSA-N 2 2 357.542 2.560 20 30 FFEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000414308074 514043130 /nfs/dbraw/zinc/04/31/30/514043130.db2.gz SHNJFDCQMLOMBS-JOCHJYFZSA-N 2 2 357.542 2.560 20 30 FFEDLP C=CC[C@@H]1N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCC1(C)C ZINC000445223345 514444975 /nfs/dbraw/zinc/44/49/75/514444975.db2.gz LQUAKXJGGQECSM-SFHVURJKSA-N 2 2 350.551 2.789 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1OC ZINC000475621071 514739442 /nfs/dbraw/zinc/73/94/42/514739442.db2.gz GSGWRJKQHLSDNE-UHFFFAOYSA-N 2 2 369.465 2.986 20 30 FFEDLP C[C@H](CC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000476537306 515091859 /nfs/dbraw/zinc/09/18/59/515091859.db2.gz BQDKTWKNARYLNS-UZLBHIALSA-N 2 2 350.466 2.585 20 30 FFEDLP C[C@H](CC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000476537306 515091868 /nfs/dbraw/zinc/09/18/68/515091868.db2.gz BQDKTWKNARYLNS-UZLBHIALSA-N 2 2 350.466 2.585 20 30 FFEDLP Cc1c(C#N)cccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000510073866 515424317 /nfs/dbraw/zinc/42/43/17/515424317.db2.gz SOGVJWCJLXWYRL-UHFFFAOYSA-N 2 2 354.498 2.547 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512456839 516285547 /nfs/dbraw/zinc/28/55/47/516285547.db2.gz PAWBMMKRXCWXMY-QHCPKHFHSA-N 2 2 360.505 2.950 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512456839 516285553 /nfs/dbraw/zinc/28/55/53/516285553.db2.gz PAWBMMKRXCWXMY-QHCPKHFHSA-N 2 2 360.505 2.950 20 30 FFEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000528442360 516441041 /nfs/dbraw/zinc/44/10/41/516441041.db2.gz LXEHLIWREIAXIH-HXUWFJFHSA-N 2 2 368.481 2.687 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068490 516618315 /nfs/dbraw/zinc/61/83/15/516618315.db2.gz FFJFJGLRZAKTAN-SJORKVTESA-N 2 2 351.454 2.545 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068490 516618329 /nfs/dbraw/zinc/61/83/29/516618329.db2.gz FFJFJGLRZAKTAN-SJORKVTESA-N 2 2 351.454 2.545 20 30 FFEDLP C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C)c1ccc(C#N)cc1Cl ZINC000551935151 516970107 /nfs/dbraw/zinc/97/01/07/516970107.db2.gz KOQNUYVLHPRGMI-UVBSCNOISA-N 2 2 371.872 2.815 20 30 FFEDLP C[NH+](CCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1)Cc1ccco1 ZINC000552058165 517055353 /nfs/dbraw/zinc/05/53/53/517055353.db2.gz YFWPMSKXNYZPRT-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP C[NH+](CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1)Cc1ccco1 ZINC000552058165 517055363 /nfs/dbraw/zinc/05/53/63/517055363.db2.gz YFWPMSKXNYZPRT-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000552058165 517055370 /nfs/dbraw/zinc/05/53/70/517055370.db2.gz YFWPMSKXNYZPRT-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000552058165 517055379 /nfs/dbraw/zinc/05/53/79/517055379.db2.gz YFWPMSKXNYZPRT-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000538043953 517450944 /nfs/dbraw/zinc/45/09/44/517450944.db2.gz OEHQLTHLQNBODN-HDICACEKSA-N 2 2 357.498 2.648 20 30 FFEDLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000538043953 517450954 /nfs/dbraw/zinc/45/09/54/517450954.db2.gz OEHQLTHLQNBODN-HDICACEKSA-N 2 2 357.498 2.648 20 30 FFEDLP C[NH+](CCC[N@@H+](C)CCC(=O)Nc1sccc1C#N)Cc1ccco1 ZINC000560539807 517882081 /nfs/dbraw/zinc/88/20/81/517882081.db2.gz IFWNNHFVJJGBJV-UHFFFAOYSA-N 2 2 360.483 2.995 20 30 FFEDLP C[NH+](CCC[N@H+](C)CCC(=O)Nc1sccc1C#N)Cc1ccco1 ZINC000560539807 517882089 /nfs/dbraw/zinc/88/20/89/517882089.db2.gz IFWNNHFVJJGBJV-UHFFFAOYSA-N 2 2 360.483 2.995 20 30 FFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC(=O)Nc1sccc1C#N ZINC000560539807 517882100 /nfs/dbraw/zinc/88/21/00/517882100.db2.gz IFWNNHFVJJGBJV-UHFFFAOYSA-N 2 2 360.483 2.995 20 30 FFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC(=O)Nc1sccc1C#N ZINC000560539807 517882107 /nfs/dbraw/zinc/88/21/07/517882107.db2.gz IFWNNHFVJJGBJV-UHFFFAOYSA-N 2 2 360.483 2.995 20 30 FFEDLP N#Cc1cnn2cc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cnc12 ZINC000570928615 518846434 /nfs/dbraw/zinc/84/64/34/518846434.db2.gz IHXQIXQOGDSENW-QFIPXVFZSA-N 2 2 372.476 2.699 20 30 FFEDLP N#Cc1cnn2cc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cnc12 ZINC000570928615 518846443 /nfs/dbraw/zinc/84/64/43/518846443.db2.gz IHXQIXQOGDSENW-QFIPXVFZSA-N 2 2 372.476 2.699 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cnc12 ZINC000570928615 518846454 /nfs/dbraw/zinc/84/64/54/518846454.db2.gz IHXQIXQOGDSENW-QFIPXVFZSA-N 2 2 372.476 2.699 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cnc12 ZINC000570928615 518846459 /nfs/dbraw/zinc/84/64/59/518846459.db2.gz IHXQIXQOGDSENW-QFIPXVFZSA-N 2 2 372.476 2.699 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000571910582 519343612 /nfs/dbraw/zinc/34/36/12/519343612.db2.gz LTBPJTOSMNHDHP-LDQXTDLNSA-N 2 2 353.466 2.579 20 30 FFEDLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439539 519966459 /nfs/dbraw/zinc/96/64/59/519966459.db2.gz RQHXNMFHIFCLNU-QAPCUYQASA-N 2 2 362.905 2.956 20 30 FFEDLP CCc1[nH+]c2cc(CNC(=O)[C@@H]([NH3+])CCCCC#N)ccc2n1C1CC1 ZINC000594456403 519975100 /nfs/dbraw/zinc/97/51/00/519975100.db2.gz OUXQVEUEOZHYCP-INIZCTEOSA-N 2 2 353.470 2.961 20 30 FFEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609137218 520203108 /nfs/dbraw/zinc/20/31/08/520203108.db2.gz VNGANGPVASCGGI-OAQYLSRUSA-N 2 2 368.525 2.762 20 30 FFEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609137218 520203117 /nfs/dbraw/zinc/20/31/17/520203117.db2.gz VNGANGPVASCGGI-OAQYLSRUSA-N 2 2 368.525 2.762 20 30 FFEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000597990409 520364348 /nfs/dbraw/zinc/36/43/48/520364348.db2.gz VCINKIXOCGGUDW-UHFFFAOYSA-N 2 2 364.493 2.839 20 30 FFEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1-c1ccccc1C#N ZINC000597990409 520364354 /nfs/dbraw/zinc/36/43/54/520364354.db2.gz VCINKIXOCGGUDW-UHFFFAOYSA-N 2 2 364.493 2.839 20 30 FFEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499912 520422508 /nfs/dbraw/zinc/42/25/08/520422508.db2.gz CYYGROQSMWOOKL-DLBZAZTESA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499912 520422514 /nfs/dbraw/zinc/42/25/14/520422514.db2.gz CYYGROQSMWOOKL-DLBZAZTESA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499912 520422520 /nfs/dbraw/zinc/42/25/20/520422520.db2.gz CYYGROQSMWOOKL-DLBZAZTESA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499912 520422525 /nfs/dbraw/zinc/42/25/25/520422525.db2.gz CYYGROQSMWOOKL-DLBZAZTESA-N 2 2 352.486 2.687 20 30 FFEDLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[NH+](C)C ZINC000600732740 520432901 /nfs/dbraw/zinc/43/29/01/520432901.db2.gz FARABGMKGHDBCG-NSHGMRRFSA-N 2 2 359.514 2.647 20 30 FFEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595610258 520590029 /nfs/dbraw/zinc/59/00/29/520590029.db2.gz UZNALHKWMOUUNQ-RBUKOAKNSA-N 2 2 354.498 2.517 20 30 FFEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595610258 520590037 /nfs/dbraw/zinc/59/00/37/520590037.db2.gz UZNALHKWMOUUNQ-RBUKOAKNSA-N 2 2 354.498 2.517 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C[NH3+])cc3F)CC2)cc1 ZINC000593322526 520910140 /nfs/dbraw/zinc/91/01/40/520910140.db2.gz OGHWQLNRNMANEB-UHFFFAOYSA-N 3 2 352.457 2.910 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740935 521119026 /nfs/dbraw/zinc/11/90/26/521119026.db2.gz OJBPLDZHVPTAAG-MAUKXSAKSA-N 2 2 363.465 2.908 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000614740935 521119032 /nfs/dbraw/zinc/11/90/32/521119032.db2.gz OJBPLDZHVPTAAG-MAUKXSAKSA-N 2 2 363.465 2.908 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCN(CC(F)F)CC3)CC2)cc1 ZINC000611438313 521157722 /nfs/dbraw/zinc/15/77/22/521157722.db2.gz SGMRUGHVOYISIM-UHFFFAOYSA-N 2 2 362.468 2.842 20 30 FFEDLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593703255 521165264 /nfs/dbraw/zinc/16/52/64/521165264.db2.gz RVUIOWDRBPSUMN-UHFFFAOYSA-N 2 2 353.422 2.692 20 30 FFEDLP C=CCOc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000607366637 521341815 /nfs/dbraw/zinc/34/18/15/521341815.db2.gz QITRETSCLDVHER-JOCHJYFZSA-N 2 2 352.478 2.978 20 30 FFEDLP C=CCOc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000607366637 521341818 /nfs/dbraw/zinc/34/18/18/521341818.db2.gz QITRETSCLDVHER-JOCHJYFZSA-N 2 2 352.478 2.978 20 30 FFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000602637848 521451046 /nfs/dbraw/zinc/45/10/46/521451046.db2.gz OPGYJTZPASWHFO-CTNGQTDRSA-N 2 2 371.525 2.966 20 30 FFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000602637848 521451052 /nfs/dbraw/zinc/45/10/52/521451052.db2.gz OPGYJTZPASWHFO-CTNGQTDRSA-N 2 2 371.525 2.966 20 30 FFEDLP Cc1cc(Br)cn2cc(CCNC(=[NH2+])NCC3CCC3)[nH+]c12 ZINC000262373263 729664781 /nfs/dbraw/zinc/66/47/81/729664781.db2.gz MEDBKEAQICXJAY-UHFFFAOYSA-N 2 2 364.291 2.652 20 30 FFEDLP C=CC(C)(C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876320205 732234315 /nfs/dbraw/zinc/23/43/15/732234315.db2.gz FGOBQUFXNSDPDV-GOSISDBHSA-N 2 2 350.551 2.789 20 30 FFEDLP C=CC(C)(C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876320205 732234318 /nfs/dbraw/zinc/23/43/18/732234318.db2.gz FGOBQUFXNSDPDV-GOSISDBHSA-N 2 2 350.551 2.789 20 30 FFEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC(=S)NC3CCCCC3)cc2)CC1 ZINC000771555751 737735111 /nfs/dbraw/zinc/73/51/11/737735111.db2.gz PTFURNOVBSYBCT-UHFFFAOYSA-N 2 2 359.543 2.569 20 30 FFEDLP C=CCC(F)(F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000815872276 741967566 /nfs/dbraw/zinc/96/75/66/741967566.db2.gz GUDCUVXAPFJNAM-SJORKVTESA-N 2 2 357.489 2.993 20 30 FFEDLP C=CCC(F)(F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000815872276 741967568 /nfs/dbraw/zinc/96/75/68/741967568.db2.gz GUDCUVXAPFJNAM-SJORKVTESA-N 2 2 357.489 2.993 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819022582 742326542 /nfs/dbraw/zinc/32/65/42/742326542.db2.gz RUVSSQJAHHYDLN-INIZCTEOSA-N 2 2 357.267 2.862 20 30 FFEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)[N@H+](C)C1 ZINC000328988928 965246383 /nfs/dbraw/zinc/24/63/83/965246383.db2.gz CNOKISMPIOYNFK-LNMJFAINSA-N 2 2 361.486 2.603 20 30 FFEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)[N@@H+](C)C1 ZINC000328988928 965246394 /nfs/dbraw/zinc/24/63/94/965246394.db2.gz CNOKISMPIOYNFK-LNMJFAINSA-N 2 2 361.486 2.603 20 30 FFEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001279133690 965360440 /nfs/dbraw/zinc/36/04/40/965360440.db2.gz SICFZLIWVLNOLL-HXUWFJFHSA-N 2 2 362.468 2.686 20 30 FFEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001279133690 965360450 /nfs/dbraw/zinc/36/04/50/965360450.db2.gz SICFZLIWVLNOLL-HXUWFJFHSA-N 2 2 362.468 2.686 20 30 FFEDLP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023373716 967750309 /nfs/dbraw/zinc/75/03/09/967750309.db2.gz BVLSALDHXXYFDP-HSALFYBXSA-N 2 2 370.541 2.948 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023373716 967750314 /nfs/dbraw/zinc/75/03/14/967750314.db2.gz BVLSALDHXXYFDP-HSALFYBXSA-N 2 2 370.541 2.948 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001087773600 968988874 /nfs/dbraw/zinc/98/88/74/968988874.db2.gz WRHZLPXRCYWNHY-LEWJYISDSA-N 2 2 368.525 2.759 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1Cc1ccccc1C#N ZINC001087773600 968988881 /nfs/dbraw/zinc/98/88/81/968988881.db2.gz WRHZLPXRCYWNHY-LEWJYISDSA-N 2 2 368.525 2.759 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]2C1 ZINC001088159530 973239877 /nfs/dbraw/zinc/23/98/77/973239877.db2.gz WJRXDGIQILZTLQ-MSOLQXFVSA-N 2 2 365.481 2.627 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@@H]2C1 ZINC001088159530 973239883 /nfs/dbraw/zinc/23/98/83/973239883.db2.gz WJRXDGIQILZTLQ-MSOLQXFVSA-N 2 2 365.481 2.627 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001087431304 976032742 /nfs/dbraw/zinc/03/27/42/976032742.db2.gz JCCVBPRHUFYERY-CEWLAPEOSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001087431304 976032756 /nfs/dbraw/zinc/03/27/56/976032756.db2.gz JCCVBPRHUFYERY-CEWLAPEOSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990744501 976798675 /nfs/dbraw/zinc/79/86/75/976798675.db2.gz VBHNGDQQJSVYHD-IWQHBPENSA-N 2 2 368.525 2.843 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990744501 976798688 /nfs/dbraw/zinc/79/86/88/976798688.db2.gz VBHNGDQQJSVYHD-IWQHBPENSA-N 2 2 368.525 2.843 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211707112 977299420 /nfs/dbraw/zinc/29/94/20/977299420.db2.gz ANZMZNMFBPJOTD-VQTJNVASSA-N 2 2 352.482 2.513 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211715540 977404311 /nfs/dbraw/zinc/40/43/11/977404311.db2.gz BRFBTXYYWSETLI-LEWJYISDSA-N 2 2 366.509 2.903 20 30 FFEDLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116854 1014500080 /nfs/dbraw/zinc/50/00/80/1014500080.db2.gz SXZPBIOTVXNMAX-NRFANRHFSA-N 2 2 357.498 2.912 20 30 FFEDLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001137116854 1014500091 /nfs/dbraw/zinc/50/00/91/1014500091.db2.gz SXZPBIOTVXNMAX-NRFANRHFSA-N 2 2 357.498 2.912 20 30 FFEDLP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968860887 1014590667 /nfs/dbraw/zinc/59/06/67/1014590667.db2.gz BMSRLURBOMDXRG-HSALFYBXSA-N 2 2 368.525 2.538 20 30 FFEDLP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968860887 1014590673 /nfs/dbraw/zinc/59/06/73/1014590673.db2.gz BMSRLURBOMDXRG-HSALFYBXSA-N 2 2 368.525 2.538 20 30 FFEDLP N#CCCn1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c(-c2ccncc2)n1 ZINC000897983056 982582272 /nfs/dbraw/zinc/58/22/72/982582272.db2.gz XBQXBTSFTBJMNC-UHFFFAOYSA-N 2 2 364.497 2.965 20 30 FFEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088692909 982794333 /nfs/dbraw/zinc/79/43/33/982794333.db2.gz CUZPEPPSAZFYGF-QMMLZNLJSA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088692909 982794342 /nfs/dbraw/zinc/79/43/42/982794342.db2.gz CUZPEPPSAZFYGF-QMMLZNLJSA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088692909 982794349 /nfs/dbraw/zinc/79/43/49/982794349.db2.gz CUZPEPPSAZFYGF-QMMLZNLJSA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088692909 982794357 /nfs/dbraw/zinc/79/43/57/982794357.db2.gz CUZPEPPSAZFYGF-QMMLZNLJSA-N 2 2 368.525 2.758 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1(C)C ZINC000995831902 984142823 /nfs/dbraw/zinc/14/28/23/984142823.db2.gz MCPYPXJJTBZADH-KZNAEPCWSA-N 2 2 356.514 2.557 20 30 FFEDLP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000997589342 985576582 /nfs/dbraw/zinc/57/65/82/985576582.db2.gz NNSYEIQFAXEOER-WSTZPKSXSA-N 2 2 370.541 2.947 20 30 FFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000151780296 986866340 /nfs/dbraw/zinc/86/63/40/986866340.db2.gz IPXVMCPJKAGKAK-XMSQKQJNSA-N 2 2 364.489 2.768 20 30 FFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000151780296 986866351 /nfs/dbraw/zinc/86/63/51/986866351.db2.gz IPXVMCPJKAGKAK-XMSQKQJNSA-N 2 2 364.489 2.768 20 30 FFEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000651701247 1015334392 /nfs/dbraw/zinc/33/43/92/1015334392.db2.gz KBUQTRPVVCIBAE-GUDVDZBRSA-N 2 2 371.529 2.616 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033835695 989748256 /nfs/dbraw/zinc/74/82/56/989748256.db2.gz CNQYLYJNQZBFDC-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033835695 989748264 /nfs/dbraw/zinc/74/82/64/989748264.db2.gz CNQYLYJNQZBFDC-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)C(C)C ZINC000917167956 990163093 /nfs/dbraw/zinc/16/30/93/990163093.db2.gz KFQYRHOOBWIGEQ-UHFFFAOYSA-N 2 2 359.514 2.626 20 30 FFEDLP C=CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)C(C)C ZINC000917167956 990163098 /nfs/dbraw/zinc/16/30/98/990163098.db2.gz KFQYRHOOBWIGEQ-UHFFFAOYSA-N 2 2 359.514 2.626 20 30 FFEDLP C=CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1)C(C)C ZINC000917167956 990163100 /nfs/dbraw/zinc/16/31/00/990163100.db2.gz KFQYRHOOBWIGEQ-UHFFFAOYSA-N 2 2 359.514 2.626 20 30 FFEDLP C=CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1)C(C)C ZINC000917167956 990163103 /nfs/dbraw/zinc/16/31/03/990163103.db2.gz KFQYRHOOBWIGEQ-UHFFFAOYSA-N 2 2 359.514 2.626 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1c1ccc(F)cc1 ZINC001079160306 991864307 /nfs/dbraw/zinc/86/43/07/991864307.db2.gz MHXNSVYGIHYXMX-ZWKOTPCHSA-N 2 2 356.445 2.642 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079201902 991876560 /nfs/dbraw/zinc/87/65/60/991876560.db2.gz IGUNGUOZAODCCT-RYGJVYDSSA-N 2 2 370.472 2.888 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079201902 991876568 /nfs/dbraw/zinc/87/65/68/991876568.db2.gz IGUNGUOZAODCCT-RYGJVYDSSA-N 2 2 370.472 2.888 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cccc(F)c1 ZINC001079192498 991907193 /nfs/dbraw/zinc/90/71/93/991907193.db2.gz JZWJXOSBZJANRG-RBUKOAKNSA-N 2 2 370.472 2.652 20 30 FFEDLP Cc1oc(NC(=O)C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C#N)c1C ZINC000880568939 1015873910 /nfs/dbraw/zinc/87/39/10/1015873910.db2.gz HMPWQYBHASUVAT-SFHVURJKSA-N 2 2 363.421 2.934 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085603242 999590692 /nfs/dbraw/zinc/59/06/92/999590692.db2.gz YNZLCNDIHUBQBL-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085603242 999590693 /nfs/dbraw/zinc/59/06/93/999590693.db2.gz YNZLCNDIHUBQBL-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001109467100 1000515681 /nfs/dbraw/zinc/51/56/81/1000515681.db2.gz KMYBAKJAOMMGJV-YRXWBPOGSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001109467100 1000515683 /nfs/dbraw/zinc/51/56/83/1000515683.db2.gz KMYBAKJAOMMGJV-YRXWBPOGSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000771767190 1001208066 /nfs/dbraw/zinc/20/80/66/1001208066.db2.gz WQHXIGAAZCCENG-VQTJNVASSA-N 2 2 371.529 2.509 20 30 FFEDLP C=CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000771767190 1001208069 /nfs/dbraw/zinc/20/80/69/1001208069.db2.gz WQHXIGAAZCCENG-VQTJNVASSA-N 2 2 371.529 2.509 20 30 FFEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001095498949 1016511886 /nfs/dbraw/zinc/51/18/86/1016511886.db2.gz KLYMJICLEUGDIY-GRGSLBFTSA-N 2 2 372.538 2.716 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095498949 1016511896 /nfs/dbraw/zinc/51/18/96/1016511896.db2.gz KLYMJICLEUGDIY-GRGSLBFTSA-N 2 2 372.538 2.716 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095498949 1016511911 /nfs/dbraw/zinc/51/19/11/1016511911.db2.gz KLYMJICLEUGDIY-GRGSLBFTSA-N 2 2 372.538 2.716 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1c1ccccc1 ZINC001086593336 1002553392 /nfs/dbraw/zinc/55/33/92/1002553392.db2.gz PYNGJECZWLOMGK-BDTNDASRSA-N 2 2 367.537 2.714 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@H]1c1ccccc1 ZINC001086593336 1002553403 /nfs/dbraw/zinc/55/34/03/1002553403.db2.gz PYNGJECZWLOMGK-BDTNDASRSA-N 2 2 367.537 2.714 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1c1ccccc1 ZINC001086593336 1002553415 /nfs/dbraw/zinc/55/34/15/1002553415.db2.gz PYNGJECZWLOMGK-BDTNDASRSA-N 2 2 367.537 2.714 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1c1ccccc1 ZINC001086593336 1002553422 /nfs/dbraw/zinc/55/34/22/1002553422.db2.gz PYNGJECZWLOMGK-BDTNDASRSA-N 2 2 367.537 2.714 20 30 FFEDLP CC[NH+](CC)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793499964 1003409964 /nfs/dbraw/zinc/40/99/64/1003409964.db2.gz TXFNZQBLVBXOPP-UHFFFAOYSA-N 2 2 356.514 2.610 20 30 FFEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190229858 1007514950 /nfs/dbraw/zinc/51/49/50/1007514950.db2.gz PDLPRWZFYVOZHJ-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190229858 1007514966 /nfs/dbraw/zinc/51/49/66/1007514966.db2.gz PDLPRWZFYVOZHJ-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C#CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000775399878 1007718633 /nfs/dbraw/zinc/71/86/33/1007718633.db2.gz VORFBYYOPOQIRM-QFIPXVFZSA-N 2 2 361.489 2.685 20 30 FFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172306316 1011738065 /nfs/dbraw/zinc/73/80/65/1011738065.db2.gz WLFCCXVEXYATDW-YHYVQYDKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172306316 1011738072 /nfs/dbraw/zinc/73/80/72/1011738072.db2.gz WLFCCXVEXYATDW-YHYVQYDKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172306316 1011738077 /nfs/dbraw/zinc/73/80/77/1011738077.db2.gz WLFCCXVEXYATDW-YHYVQYDKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172306316 1011738086 /nfs/dbraw/zinc/73/80/86/1011738086.db2.gz WLFCCXVEXYATDW-YHYVQYDKSA-N 2 2 363.509 2.677 20 30 FFEDLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303772385 1012426052 /nfs/dbraw/zinc/42/60/52/1012426052.db2.gz DNLHIADWNANATJ-IBGZPJMESA-N 2 2 359.562 2.810 20 30 FFEDLP COc1cccc([C@@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)[NH+](C)C)c1 ZINC000303783104 1012427267 /nfs/dbraw/zinc/42/72/67/1012427267.db2.gz NXEIOSJERIZEBB-GOSISDBHSA-N 2 2 372.469 2.742 20 30 FFEDLP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCn1cc[nH+]c1 ZINC000924555079 1017354912 /nfs/dbraw/zinc/35/49/12/1017354912.db2.gz YIMVJDHRNVIIED-INIZCTEOSA-N 2 2 361.490 2.792 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C(F)(F)F ZINC001099270118 1022198341 /nfs/dbraw/zinc/19/83/41/1022198341.db2.gz YPOIQLLYVWURCG-IUODEOHRSA-N 2 2 352.360 2.732 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001039172146 1022735883 /nfs/dbraw/zinc/73/58/83/1022735883.db2.gz MXUROSYEOSDPFN-GUDVDZBRSA-N 2 2 356.514 2.660 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001039172146 1022735893 /nfs/dbraw/zinc/73/58/93/1022735893.db2.gz MXUROSYEOSDPFN-GUDVDZBRSA-N 2 2 356.514 2.660 20 30 FFEDLP C[C@@H]([NH2+]C1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCOCC1)c1ccccc1 ZINC001120581939 1023370311 /nfs/dbraw/zinc/37/03/11/1023370311.db2.gz OIXORUIGCBFIPV-IEBWSBKVSA-N 2 2 357.498 2.531 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637239 1027846081 /nfs/dbraw/zinc/84/60/81/1027846081.db2.gz CHHXZZJNYSKMDG-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001103637239 1027846101 /nfs/dbraw/zinc/84/61/01/1027846101.db2.gz CHHXZZJNYSKMDG-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP Cc1c(Cl)c(Cl)nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1C#N ZINC001158258711 1029774667 /nfs/dbraw/zinc/77/46/67/1029774667.db2.gz HBIWKSBJKDPYSC-LLVKDONJSA-N 2 2 354.285 2.570 20 30 FFEDLP Cc1c(Cl)c(Cl)nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1C#N ZINC001158258711 1029774673 /nfs/dbraw/zinc/77/46/73/1029774673.db2.gz HBIWKSBJKDPYSC-LLVKDONJSA-N 2 2 354.285 2.570 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc3[nH+]ccn31)C2 ZINC001112463746 1030865261 /nfs/dbraw/zinc/86/52/61/1030865261.db2.gz ZKOPCBWJAWLGMM-KXBFYZLASA-N 2 2 358.873 2.919 20 30 FFEDLP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCCC1 ZINC001115542179 1031811851 /nfs/dbraw/zinc/81/18/51/1031811851.db2.gz PWWSZYMTGCLGKX-RTBURBONSA-N 2 2 368.525 2.586 20 30 FFEDLP C#CC[C@]1(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC001220533799 1034242314 /nfs/dbraw/zinc/24/23/14/1034242314.db2.gz STOMUEUIEJLUGO-SJLPKXTDSA-N 2 2 368.308 2.858 20 30 FFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001221657304 1034955535 /nfs/dbraw/zinc/95/55/35/1034955535.db2.gz QVKNFLZSWVEYOG-QWFCFKBJSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001221657304 1034955539 /nfs/dbraw/zinc/95/55/39/1034955539.db2.gz QVKNFLZSWVEYOG-QWFCFKBJSA-N 2 2 358.530 2.949 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001228150996 1035960256 /nfs/dbraw/zinc/96/02/56/1035960256.db2.gz NXWXEHGOPWDHPJ-VAMGGRTRSA-N 2 2 363.546 2.613 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001228150996 1035960262 /nfs/dbraw/zinc/96/02/62/1035960262.db2.gz NXWXEHGOPWDHPJ-VAMGGRTRSA-N 2 2 363.546 2.613 20 30 FFEDLP C#Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1 ZINC001231656034 1037779408 /nfs/dbraw/zinc/77/94/08/1037779408.db2.gz DOGOGNPTMSIOFU-UHFFFAOYSA-N 2 2 354.494 2.907 20 30 FFEDLP C#Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OCC)C3)CC2)c1 ZINC001231658295 1037781458 /nfs/dbraw/zinc/78/14/58/1037781458.db2.gz UOZVEYUIQLJRJO-FQEVSTJZSA-N 2 2 354.494 2.907 20 30 FFEDLP C#Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OCC)C3)CC2)c1 ZINC001231658295 1037781465 /nfs/dbraw/zinc/78/14/65/1037781465.db2.gz UOZVEYUIQLJRJO-FQEVSTJZSA-N 2 2 354.494 2.907 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001208849838 1038556013 /nfs/dbraw/zinc/55/60/13/1038556013.db2.gz NJNZKKLCGCNPHG-FGZHOGPDSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001208849838 1038556014 /nfs/dbraw/zinc/55/60/14/1038556014.db2.gz NJNZKKLCGCNPHG-FGZHOGPDSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001208849838 1038556016 /nfs/dbraw/zinc/55/60/16/1038556016.db2.gz NJNZKKLCGCNPHG-FGZHOGPDSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCc4cccc(C#N)c4)C[C@@H]3C2)cn1 ZINC001208849838 1038556019 /nfs/dbraw/zinc/55/60/19/1038556019.db2.gz NJNZKKLCGCNPHG-FGZHOGPDSA-N 2 2 363.509 2.678 20 30 FFEDLP N#C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CCN1 ZINC001246448983 1039358812 /nfs/dbraw/zinc/35/88/12/1039358812.db2.gz HLUNHNMZWKDUOB-KBPBESRZSA-N 2 2 352.404 2.518 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001216185323 1041972429 /nfs/dbraw/zinc/97/24/29/1041972429.db2.gz RCTMKGQLUIXNGO-GPMSIDNRSA-N 2 2 353.470 2.672 20 30 FFEDLP COc1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1C#N ZINC001238407257 1043690785 /nfs/dbraw/zinc/69/07/85/1043690785.db2.gz UZIMMDKMYVZRIM-IFMALSPDSA-N 2 2 369.509 2.747 20 30 FFEDLP COc1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1C#N ZINC001238407257 1043690794 /nfs/dbraw/zinc/69/07/94/1043690794.db2.gz UZIMMDKMYVZRIM-IFMALSPDSA-N 2 2 369.509 2.747 20 30 FFEDLP COc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)ccc1C#N ZINC001238407257 1043690800 /nfs/dbraw/zinc/69/08/00/1043690800.db2.gz UZIMMDKMYVZRIM-IFMALSPDSA-N 2 2 369.509 2.747 20 30 FFEDLP COc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)ccc1C#N ZINC001238407257 1043690809 /nfs/dbraw/zinc/69/08/09/1043690809.db2.gz UZIMMDKMYVZRIM-IFMALSPDSA-N 2 2 369.509 2.747 20 30 FFEDLP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001316712745 1044453752 /nfs/dbraw/zinc/45/37/52/1044453752.db2.gz XGQADDCFBLLNRS-IEBWSBKVSA-N 2 2 357.498 2.653 20 30 FFEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCc3ccc(C#N)cc3)cc2F)CC1 ZINC001319279845 1045096376 /nfs/dbraw/zinc/09/63/76/1045096376.db2.gz TXRRXWLFYHNAOZ-UHFFFAOYSA-N 2 2 351.429 2.573 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001339773702 1050192657 /nfs/dbraw/zinc/19/26/57/1050192657.db2.gz CNVBIVUDODFLTL-LJQANCHMSA-N 2 2 366.513 2.553 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001339773702 1050192665 /nfs/dbraw/zinc/19/26/65/1050192665.db2.gz CNVBIVUDODFLTL-LJQANCHMSA-N 2 2 366.513 2.553 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC)[NH+](C)C ZINC001316738773 1051958118 /nfs/dbraw/zinc/95/81/18/1051958118.db2.gz IRVDCHMSYWMGDK-IPMKNSEASA-N 2 2 360.477 2.507 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC)[NH+](C)C ZINC001316738773 1051958132 /nfs/dbraw/zinc/95/81/32/1051958132.db2.gz IRVDCHMSYWMGDK-IPMKNSEASA-N 2 2 360.477 2.507 20 30 FFEDLP C[NH+](C)CCOc1ccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC001344569746 1052839433 /nfs/dbraw/zinc/83/94/33/1052839433.db2.gz RQJXRBGRJHRUDZ-UHFFFAOYSA-N 2 2 351.450 2.762 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001338749311 1055781354 /nfs/dbraw/zinc/78/13/54/1055781354.db2.gz MFCXXMCURLLUEX-MJGOQNOKSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001338749311 1055781365 /nfs/dbraw/zinc/78/13/65/1055781365.db2.gz MFCXXMCURLLUEX-MJGOQNOKSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001338749311 1055781375 /nfs/dbraw/zinc/78/13/75/1055781375.db2.gz MFCXXMCURLLUEX-MJGOQNOKSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001338749311 1055781383 /nfs/dbraw/zinc/78/13/83/1055781383.db2.gz MFCXXMCURLLUEX-MJGOQNOKSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001338994554 1055997640 /nfs/dbraw/zinc/99/76/40/1055997640.db2.gz FUIIFPIQELOZLG-AEFFLSMTSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001338994554 1055997647 /nfs/dbraw/zinc/99/76/47/1055997647.db2.gz FUIIFPIQELOZLG-AEFFLSMTSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001338994554 1055997658 /nfs/dbraw/zinc/99/76/58/1055997658.db2.gz FUIIFPIQELOZLG-AEFFLSMTSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001338994554 1055997669 /nfs/dbraw/zinc/99/76/69/1055997669.db2.gz FUIIFPIQELOZLG-AEFFLSMTSA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001523992154 1062681746 /nfs/dbraw/zinc/68/17/46/1062681746.db2.gz PDRCBVVSVVMOAX-RTBURBONSA-N 2 2 372.561 2.933 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001523992154 1062681752 /nfs/dbraw/zinc/68/17/52/1062681752.db2.gz PDRCBVVSVVMOAX-RTBURBONSA-N 2 2 372.561 2.933 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000067203066 506792284 /nfs/dbraw/zinc/79/22/84/506792284.db2.gz QNTRHMBCYMWCKH-QZTJIDSGSA-N 2 2 369.509 2.580 20 30 FFEDLP [NH2+]=C(NCc1ccccc1Cn1cc[nH+]c1)N[C@@H]1CCOc2ccccc21 ZINC000083030468 508233678 /nfs/dbraw/zinc/23/36/78/508233678.db2.gz WTJALCNKCVQMLI-LJQANCHMSA-N 2 2 361.449 2.860 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(C)c2OCC(F)(F)F)CC1 ZINC000106245083 508398499 /nfs/dbraw/zinc/39/84/99/508398499.db2.gz GWGFUSYSLSHIBT-UHFFFAOYSA-N 2 2 360.424 2.800 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C(N)=O)cc1 ZINC000115595871 508415440 /nfs/dbraw/zinc/41/54/40/508415440.db2.gz VBVNIBALTXDMDE-NRFANRHFSA-N 2 2 362.477 2.860 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152392864 508437798 /nfs/dbraw/zinc/43/77/98/508437798.db2.gz QXYABVQQZGPDNZ-ZIAGYGMSSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152392864 508437802 /nfs/dbraw/zinc/43/78/02/508437802.db2.gz QXYABVQQZGPDNZ-ZIAGYGMSSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152392864 508437805 /nfs/dbraw/zinc/43/78/05/508437805.db2.gz QXYABVQQZGPDNZ-ZIAGYGMSSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152392864 508437809 /nfs/dbraw/zinc/43/78/09/508437809.db2.gz QXYABVQQZGPDNZ-ZIAGYGMSSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000156980783 508505337 /nfs/dbraw/zinc/50/53/37/508505337.db2.gz DIFASNDGOUMJOE-WEYGHZABSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000156980783 508505340 /nfs/dbraw/zinc/50/53/40/508505340.db2.gz DIFASNDGOUMJOE-WEYGHZABSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000156980783 508505343 /nfs/dbraw/zinc/50/53/43/508505343.db2.gz DIFASNDGOUMJOE-WEYGHZABSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000156980783 508505346 /nfs/dbraw/zinc/50/53/46/508505346.db2.gz DIFASNDGOUMJOE-WEYGHZABSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H](C#N)Oc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000377721731 512418228 /nfs/dbraw/zinc/41/82/28/512418228.db2.gz UJWQCRDSIHFVGE-YBVXAUJNSA-N 2 2 368.525 2.720 20 30 FFEDLP C[C@@H](C#N)Oc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000377721731 512418232 /nfs/dbraw/zinc/41/82/32/512418232.db2.gz UJWQCRDSIHFVGE-YBVXAUJNSA-N 2 2 368.525 2.720 20 30 FFEDLP NC(=[NH+]OCc1ccc(Cl)nc1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000131464470 508936000 /nfs/dbraw/zinc/93/60/00/508936000.db2.gz PRHCMGRASPGQSV-UHFFFAOYSA-N 2 2 374.872 2.529 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1OC ZINC000264073694 509316009 /nfs/dbraw/zinc/31/60/09/509316009.db2.gz DZEJPNXYYJYEQQ-INIZCTEOSA-N 2 2 360.433 2.872 20 30 FFEDLP CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179286302 509357408 /nfs/dbraw/zinc/35/74/08/509357408.db2.gz LPKQUFXSDWMDFC-UHFFFAOYSA-N 2 2 371.529 2.504 20 30 FFEDLP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000246179543 510342294 /nfs/dbraw/zinc/34/22/94/510342294.db2.gz UOEVQAGAHQUXOK-QZTJIDSGSA-N 2 2 369.513 2.855 20 30 FFEDLP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000246179543 510342301 /nfs/dbraw/zinc/34/23/01/510342301.db2.gz UOEVQAGAHQUXOK-QZTJIDSGSA-N 2 2 369.513 2.855 20 30 FFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)c1cc2ccccc2o1 ZINC000262767419 510404235 /nfs/dbraw/zinc/40/42/35/510404235.db2.gz HSZCQOQHIHRVBI-CYBMUJFWSA-N 2 2 354.458 2.659 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246289388 510410287 /nfs/dbraw/zinc/41/02/87/510410287.db2.gz AYGOYJYQVVGZNF-HOTGVXAUSA-N 2 2 369.494 2.821 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246289388 510410296 /nfs/dbraw/zinc/41/02/96/510410296.db2.gz AYGOYJYQVVGZNF-HOTGVXAUSA-N 2 2 369.494 2.821 20 30 FFEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246310142 510420670 /nfs/dbraw/zinc/42/06/70/510420670.db2.gz ZFQIYDRYBBKIME-XTBIFASLSA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246310142 510420676 /nfs/dbraw/zinc/42/06/76/510420676.db2.gz ZFQIYDRYBBKIME-XTBIFASLSA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246310142 510420679 /nfs/dbraw/zinc/42/06/79/510420679.db2.gz ZFQIYDRYBBKIME-XTBIFASLSA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000246310142 510420684 /nfs/dbraw/zinc/42/06/84/510420684.db2.gz ZFQIYDRYBBKIME-XTBIFASLSA-N 2 2 362.562 2.969 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000246427709 510484057 /nfs/dbraw/zinc/48/40/57/510484057.db2.gz NPZXAQZOGNWJEE-DYESRHJHSA-N 2 2 350.466 2.984 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000246427709 510484062 /nfs/dbraw/zinc/48/40/62/510484062.db2.gz NPZXAQZOGNWJEE-DYESRHJHSA-N 2 2 350.466 2.984 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(c4ccccn4)C3)CC2)cc1 ZINC000182071197 510740462 /nfs/dbraw/zinc/74/04/62/510740462.db2.gz MCOKYVUAUDSLEI-NRFANRHFSA-N 2 2 361.493 2.786 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000246926280 510750353 /nfs/dbraw/zinc/75/03/53/510750353.db2.gz DIFASNDGOUMJOE-PIPMEXSNSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000246926280 510750362 /nfs/dbraw/zinc/75/03/62/510750362.db2.gz DIFASNDGOUMJOE-PIPMEXSNSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000246926280 510750371 /nfs/dbraw/zinc/75/03/71/510750371.db2.gz DIFASNDGOUMJOE-PIPMEXSNSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000246926280 510750380 /nfs/dbraw/zinc/75/03/80/510750380.db2.gz DIFASNDGOUMJOE-PIPMEXSNSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000271641645 511272684 /nfs/dbraw/zinc/27/26/84/511272684.db2.gz HEODKLZXMHJISC-INIZCTEOSA-N 2 2 368.506 2.615 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000271670557 511282964 /nfs/dbraw/zinc/28/29/64/511282964.db2.gz HXFYHQKRWBVFBN-KRWDZBQOSA-N 2 2 369.469 2.549 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271670557 511282967 /nfs/dbraw/zinc/28/29/67/511282967.db2.gz HXFYHQKRWBVFBN-KRWDZBQOSA-N 2 2 369.469 2.549 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1C ZINC000292075355 511455308 /nfs/dbraw/zinc/45/53/08/511455308.db2.gz FBCADHZDOGSXQT-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1C ZINC000292075355 511455313 /nfs/dbraw/zinc/45/53/13/511455313.db2.gz FBCADHZDOGSXQT-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC000292075355 511455315 /nfs/dbraw/zinc/45/53/15/511455315.db2.gz FBCADHZDOGSXQT-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1C ZINC000292075355 511455319 /nfs/dbraw/zinc/45/53/19/511455319.db2.gz FBCADHZDOGSXQT-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292081801 511457981 /nfs/dbraw/zinc/45/79/81/511457981.db2.gz FSFMEULEKYKVKU-WIYYLYMNSA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292081801 511457984 /nfs/dbraw/zinc/45/79/84/511457984.db2.gz FSFMEULEKYKVKU-WIYYLYMNSA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292081801 511457987 /nfs/dbraw/zinc/45/79/87/511457987.db2.gz FSFMEULEKYKVKU-WIYYLYMNSA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292081801 511457989 /nfs/dbraw/zinc/45/79/89/511457989.db2.gz FSFMEULEKYKVKU-WIYYLYMNSA-N 2 2 354.498 2.658 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292879501 511756302 /nfs/dbraw/zinc/75/63/02/511756302.db2.gz DWKYJUMBIVYGCB-GHTZIAJQSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292879501 511756304 /nfs/dbraw/zinc/75/63/04/511756304.db2.gz DWKYJUMBIVYGCB-GHTZIAJQSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292879501 511756307 /nfs/dbraw/zinc/75/63/07/511756307.db2.gz DWKYJUMBIVYGCB-GHTZIAJQSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292879501 511756309 /nfs/dbraw/zinc/75/63/09/511756309.db2.gz DWKYJUMBIVYGCB-GHTZIAJQSA-N 2 2 354.498 2.739 20 30 FFEDLP C#CC[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824507 511789952 /nfs/dbraw/zinc/78/99/52/511789952.db2.gz QQEGOJXZNGACGH-LEWJYISDSA-N 2 2 368.525 2.561 20 30 FFEDLP C#CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824507 511789957 /nfs/dbraw/zinc/78/99/57/511789957.db2.gz QQEGOJXZNGACGH-LEWJYISDSA-N 2 2 368.525 2.561 20 30 FFEDLP C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000329071478 511977554 /nfs/dbraw/zinc/97/75/54/511977554.db2.gz NVBDDDTTXXHTSW-UHFFFAOYSA-N 2 2 367.497 2.906 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000329194099 512002969 /nfs/dbraw/zinc/00/29/69/512002969.db2.gz SRXATFUZNDKBRR-BJCAYOAGSA-N 2 2 350.507 2.993 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000329194099 512002974 /nfs/dbraw/zinc/00/29/74/512002974.db2.gz SRXATFUZNDKBRR-BJCAYOAGSA-N 2 2 350.507 2.993 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329194099 512002977 /nfs/dbraw/zinc/00/29/77/512002977.db2.gz SRXATFUZNDKBRR-BJCAYOAGSA-N 2 2 350.507 2.993 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329194099 512002981 /nfs/dbraw/zinc/00/29/81/512002981.db2.gz SRXATFUZNDKBRR-BJCAYOAGSA-N 2 2 350.507 2.993 20 30 FFEDLP C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000411645043 512734595 /nfs/dbraw/zinc/73/45/95/512734595.db2.gz SCWNDAHLQRDTRU-INIZCTEOSA-N 2 2 355.486 2.843 20 30 FFEDLP C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000411645043 512734598 /nfs/dbraw/zinc/73/45/98/512734598.db2.gz SCWNDAHLQRDTRU-INIZCTEOSA-N 2 2 355.486 2.843 20 30 FFEDLP CCOC(=O)c1c[nH+]ccc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000439575166 513144448 /nfs/dbraw/zinc/14/44/48/513144448.db2.gz SKNLYUVGQRYPEJ-UHFFFAOYSA-N 2 2 364.449 2.842 20 30 FFEDLP CCOC(=O)c1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000439575166 513144456 /nfs/dbraw/zinc/14/44/56/513144456.db2.gz SKNLYUVGQRYPEJ-UHFFFAOYSA-N 2 2 364.449 2.842 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540452 513818958 /nfs/dbraw/zinc/81/89/58/513818958.db2.gz WWEACOMQLHZQEJ-NQIIRXRSSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540452 513818961 /nfs/dbraw/zinc/81/89/61/513818961.db2.gz WWEACOMQLHZQEJ-NQIIRXRSSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540452 513818969 /nfs/dbraw/zinc/81/89/69/513818969.db2.gz WWEACOMQLHZQEJ-NQIIRXRSSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540452 513818975 /nfs/dbraw/zinc/81/89/75/513818975.db2.gz WWEACOMQLHZQEJ-NQIIRXRSSA-N 2 2 368.525 2.885 20 30 FFEDLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424165091 514402869 /nfs/dbraw/zinc/40/28/69/514402869.db2.gz DIKZXYPZLNAWNL-INIZCTEOSA-N 2 2 353.470 2.783 20 30 FFEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCC ZINC000415044990 514414015 /nfs/dbraw/zinc/41/40/15/514414015.db2.gz VOKWMLWFQNEHOP-VIKVFOODSA-N 2 2 367.287 2.720 20 30 FFEDLP C=CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489716989 514950502 /nfs/dbraw/zinc/95/05/02/514950502.db2.gz OCRUUZUEUYESQK-MOPGFXCFSA-N 2 2 371.591 2.551 20 30 FFEDLP C=CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489716989 514950508 /nfs/dbraw/zinc/95/05/08/514950508.db2.gz OCRUUZUEUYESQK-MOPGFXCFSA-N 2 2 371.591 2.551 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000551700101 516826346 /nfs/dbraw/zinc/82/63/46/516826346.db2.gz WABRXEPUKSWTNL-COPRSSIGSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000551700101 516826358 /nfs/dbraw/zinc/82/63/58/516826358.db2.gz WABRXEPUKSWTNL-COPRSSIGSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000551700101 516826363 /nfs/dbraw/zinc/82/63/63/516826363.db2.gz WABRXEPUKSWTNL-COPRSSIGSA-N 4 2 362.606 2.599 20 30 FFEDLP CC[NH+]1CC[C@@H]([NH+](C)CC#CC[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C[C@H]1C ZINC000551700101 516826376 /nfs/dbraw/zinc/82/63/76/516826376.db2.gz WABRXEPUKSWTNL-COPRSSIGSA-N 4 2 362.606 2.599 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)s1 ZINC000561963424 516851518 /nfs/dbraw/zinc/85/15/18/516851518.db2.gz NNYVTPJZTRFAJW-UHFFFAOYSA-N 2 2 354.523 2.869 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)s1 ZINC000561963424 516851523 /nfs/dbraw/zinc/85/15/23/516851523.db2.gz NNYVTPJZTRFAJW-UHFFFAOYSA-N 2 2 354.523 2.869 20 30 FFEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000515060542 517195438 /nfs/dbraw/zinc/19/54/38/517195438.db2.gz QKXPPKNLGFHKTQ-HXUWFJFHSA-N 2 2 374.492 2.991 20 30 FFEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000515060542 517195447 /nfs/dbraw/zinc/19/54/47/517195447.db2.gz QKXPPKNLGFHKTQ-HXUWFJFHSA-N 2 2 374.492 2.991 20 30 FFEDLP C=CCCCCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000563373765 517858526 /nfs/dbraw/zinc/85/85/26/517858526.db2.gz MPNYUSSBMDXADY-UHFFFAOYSA-N 2 2 350.551 2.934 20 30 FFEDLP C=CCCCCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000563373765 517858537 /nfs/dbraw/zinc/85/85/37/517858537.db2.gz MPNYUSSBMDXADY-UHFFFAOYSA-N 2 2 350.551 2.934 20 30 FFEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543060597 517886776 /nfs/dbraw/zinc/88/67/76/517886776.db2.gz KPXLLOWBLMVUJN-UHFFFAOYSA-N 2 2 351.454 2.886 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@](O)(C(F)(F)F)C3)CC2)cc1 ZINC000589938319 519108863 /nfs/dbraw/zinc/10/88/63/519108863.db2.gz LZXXEINIXRVCKZ-ZWKOTPCHSA-N 2 2 367.415 2.958 20 30 FFEDLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[NH+](C)C ZINC000571755395 519259003 /nfs/dbraw/zinc/25/90/03/519259003.db2.gz BIPOICXBMSXGJV-KPLVRAHFSA-N 2 2 367.493 2.887 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000569375354 519519705 /nfs/dbraw/zinc/51/97/05/519519705.db2.gz OKBGTQWOABDHMZ-STQMWFEESA-N 2 2 369.494 2.658 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000569375354 519519713 /nfs/dbraw/zinc/51/97/13/519519713.db2.gz OKBGTQWOABDHMZ-STQMWFEESA-N 2 2 369.494 2.658 20 30 FFEDLP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439537 519967326 /nfs/dbraw/zinc/96/73/26/519967326.db2.gz RQHXNMFHIFCLNU-CRAIPNDOSA-N 2 2 362.905 2.956 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504032 520515139 /nfs/dbraw/zinc/51/51/39/520515139.db2.gz DFQQZGASKQRUBC-GHTZIAJQSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504032 520515147 /nfs/dbraw/zinc/51/51/47/520515147.db2.gz DFQQZGASKQRUBC-GHTZIAJQSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504032 520515151 /nfs/dbraw/zinc/51/51/51/520515151.db2.gz DFQQZGASKQRUBC-GHTZIAJQSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504032 520515155 /nfs/dbraw/zinc/51/51/55/520515155.db2.gz DFQQZGASKQRUBC-GHTZIAJQSA-N 2 2 354.498 2.739 20 30 FFEDLP COc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1C#N ZINC000610995197 520936015 /nfs/dbraw/zinc/93/60/15/520936015.db2.gz YQILKACKEYHWPZ-UHFFFAOYSA-N 2 2 356.514 2.557 20 30 FFEDLP COc1ccc(CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)cc1C#N ZINC000610995197 520936026 /nfs/dbraw/zinc/93/60/26/520936026.db2.gz YQILKACKEYHWPZ-UHFFFAOYSA-N 2 2 356.514 2.557 20 30 FFEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(C#N)c1 ZINC000611386199 521129950 /nfs/dbraw/zinc/12/99/50/521129950.db2.gz BVYQBZSZOVGLPP-INIZCTEOSA-N 2 2 368.506 2.615 20 30 FFEDLP C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602456824 521357514 /nfs/dbraw/zinc/35/75/14/521357514.db2.gz YZPZARCTKIMBQK-PMACEKPBSA-N 2 2 355.530 2.855 20 30 FFEDLP C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602456824 521357520 /nfs/dbraw/zinc/35/75/20/521357520.db2.gz YZPZARCTKIMBQK-PMACEKPBSA-N 2 2 355.530 2.855 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000623535867 522100457 /nfs/dbraw/zinc/10/04/57/522100457.db2.gz HFRVAKHDQSLMNJ-INIZCTEOSA-N 2 2 368.905 2.850 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1OC ZINC000623535867 522100467 /nfs/dbraw/zinc/10/04/67/522100467.db2.gz HFRVAKHDQSLMNJ-INIZCTEOSA-N 2 2 368.905 2.850 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)NCc3ccccc3)CCC[NH+]2C)cn1 ZINC000328634058 522406091 /nfs/dbraw/zinc/40/60/91/522406091.db2.gz MLTHMDJWDAJYLX-GHTZIAJQSA-N 2 2 369.513 2.892 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NCc3ccccc3)CCC[NH+]2C)cn1 ZINC000328634058 522406128 /nfs/dbraw/zinc/40/61/28/522406128.db2.gz MLTHMDJWDAJYLX-GHTZIAJQSA-N 2 2 369.513 2.892 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NCc3ccccc3)CCC[N@@H+]2C)cn1 ZINC000328634058 522406139 /nfs/dbraw/zinc/40/61/39/522406139.db2.gz MLTHMDJWDAJYLX-GHTZIAJQSA-N 2 2 369.513 2.892 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NCc3ccccc3)CCC[N@H+]2C)cn1 ZINC000328634058 522406151 /nfs/dbraw/zinc/40/61/51/522406151.db2.gz MLTHMDJWDAJYLX-GHTZIAJQSA-N 2 2 369.513 2.892 20 30 FFEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@]1(C)CCCS1 ZINC000261938766 729655378 /nfs/dbraw/zinc/65/53/78/729655378.db2.gz CZDPLDXWCFERAQ-SFHVURJKSA-N 2 2 361.490 2.962 20 30 FFEDLP C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876320206 732234304 /nfs/dbraw/zinc/23/43/04/732234304.db2.gz FGOBQUFXNSDPDV-SFHVURJKSA-N 2 2 350.551 2.789 20 30 FFEDLP C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876320206 732234308 /nfs/dbraw/zinc/23/43/08/732234308.db2.gz FGOBQUFXNSDPDV-SFHVURJKSA-N 2 2 350.551 2.789 20 30 FFEDLP CCCCCCCS(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000799637917 740435283 /nfs/dbraw/zinc/43/52/83/740435283.db2.gz WINJXLZAJHAQDL-UHFFFAOYSA-N 2 2 354.520 2.546 20 30 FFEDLP C=CCC(F)(F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000815872275 741967623 /nfs/dbraw/zinc/96/76/23/741967623.db2.gz GUDCUVXAPFJNAM-IRXDYDNUSA-N 2 2 357.489 2.993 20 30 FFEDLP C=CCC(F)(F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000815872275 741967624 /nfs/dbraw/zinc/96/76/24/741967624.db2.gz GUDCUVXAPFJNAM-IRXDYDNUSA-N 2 2 357.489 2.993 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001104902511 971128338 /nfs/dbraw/zinc/12/83/38/971128338.db2.gz XEDKNVYQQZSERS-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP C[NH+]1CCC(CNC(=[NH2+])Nc2cc(F)ccc2F)([NH+]2CCCCC2)CC1 ZINC000262311599 971787681 /nfs/dbraw/zinc/78/76/81/971787681.db2.gz STIAFWFKQVWYDH-UHFFFAOYSA-N 3 2 365.472 2.642 20 30 FFEDLP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261998453 965179329 /nfs/dbraw/zinc/17/93/29/965179329.db2.gz SYAMWGGPLGUABW-QTMHVTGLSA-N 2 2 371.529 2.689 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087469230 965290687 /nfs/dbraw/zinc/29/06/87/965290687.db2.gz QTKKXFAPTMLHCC-UYAOXDASSA-N 2 2 370.472 2.950 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087469230 965290697 /nfs/dbraw/zinc/29/06/97/965290697.db2.gz QTKKXFAPTMLHCC-UYAOXDASSA-N 2 2 370.472 2.950 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087469262 965291886 /nfs/dbraw/zinc/29/18/86/965291886.db2.gz SIEJIDSPWPKMNU-WOJBJXKFSA-N 2 2 370.472 2.652 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087469262 965291893 /nfs/dbraw/zinc/29/18/93/965291893.db2.gz SIEJIDSPWPKMNU-WOJBJXKFSA-N 2 2 370.472 2.652 20 30 FFEDLP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001104461145 967375061 /nfs/dbraw/zinc/37/50/61/967375061.db2.gz HEBFZDBDNGHZJR-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP C[NH+]=C(NCC1CCCCC1)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000262336871 967558441 /nfs/dbraw/zinc/55/84/41/967558441.db2.gz BYQQTEUCNUGKLC-UHFFFAOYSA-N 3 2 363.594 2.682 20 30 FFEDLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087240718 967718741 /nfs/dbraw/zinc/71/87/41/967718741.db2.gz PIVNEDPFQUYVEM-BEFAXECRSA-N 2 2 365.481 2.549 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811895 968141359 /nfs/dbraw/zinc/14/13/59/968141359.db2.gz KQEMTEYXHGNUIC-HRCADAONSA-N 2 2 350.894 2.682 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811895 968141363 /nfs/dbraw/zinc/14/13/63/968141363.db2.gz KQEMTEYXHGNUIC-HRCADAONSA-N 2 2 350.894 2.682 20 30 FFEDLP C=CCCC[N@@H+](CC)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001176798645 1013786819 /nfs/dbraw/zinc/78/68/19/1013786819.db2.gz VKXRNCJFIWWXSD-UHFFFAOYSA-N 2 2 373.545 2.845 20 30 FFEDLP C=CCCC[N@H+](CC)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001176798645 1013786826 /nfs/dbraw/zinc/78/68/26/1013786826.db2.gz VKXRNCJFIWWXSD-UHFFFAOYSA-N 2 2 373.545 2.845 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001087438735 977375989 /nfs/dbraw/zinc/37/59/89/977375989.db2.gz NBISIEZAWHZXKL-YPAWHYETSA-N 2 2 367.537 2.857 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001087438735 977375995 /nfs/dbraw/zinc/37/59/95/977375995.db2.gz NBISIEZAWHZXKL-YPAWHYETSA-N 2 2 367.537 2.857 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001087438735 977375997 /nfs/dbraw/zinc/37/59/97/977375997.db2.gz NBISIEZAWHZXKL-YPAWHYETSA-N 2 2 367.537 2.857 20 30 FFEDLP C[NH+]1CCC(CNC(=O)[C@]2(C#N)CC3CCC2CC3)([NH+]2CCCCC2)CC1 ZINC000906824002 981155736 /nfs/dbraw/zinc/15/57/36/981155736.db2.gz QUFSZKVEEPFENE-AJTFCVKESA-N 2 2 372.557 2.773 20 30 FFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1cccc(F)c1 ZINC000083029949 982776753 /nfs/dbraw/zinc/77/67/53/982776753.db2.gz SMDKOHMSSDQKAH-ROUUACIJSA-N 2 2 356.445 2.857 20 30 FFEDLP C=CCc1cc(OC)cc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c1O ZINC000164298512 984347796 /nfs/dbraw/zinc/34/77/96/984347796.db2.gz GJPQIGFJQCWCMF-UHFFFAOYSA-N 2 2 369.465 2.855 20 30 FFEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000997094740 985120214 /nfs/dbraw/zinc/12/02/14/985120214.db2.gz YDWDAPUHLZSCTB-ZHALLVOQSA-N 2 2 356.514 2.557 20 30 FFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001106143673 987270696 /nfs/dbraw/zinc/27/06/96/987270696.db2.gz HTZQTONWMHTPNQ-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001484993716 991806496 /nfs/dbraw/zinc/80/64/96/991806496.db2.gz BKDUIJBYNSRZJG-BMGDILEWSA-N 2 2 370.884 2.703 20 30 FFEDLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001484993716 991806508 /nfs/dbraw/zinc/80/65/08/991806508.db2.gz BKDUIJBYNSRZJG-BMGDILEWSA-N 2 2 370.884 2.703 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1cccc(F)c1 ZINC001079188667 991900322 /nfs/dbraw/zinc/90/03/22/991900322.db2.gz LCXBYZKMKQECTR-RBUKOAKNSA-N 2 2 370.472 2.836 20 30 FFEDLP CC1([NH2+]Cc2ccc(C#N)s2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000940159781 991948726 /nfs/dbraw/zinc/94/87/26/991948726.db2.gz VAOVVQPNRSMPBR-HZPDHXFCSA-N 2 2 369.494 2.617 20 30 FFEDLP CC1([NH2+]Cc2ccc(C#N)s2)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000940159781 991948735 /nfs/dbraw/zinc/94/87/35/991948735.db2.gz VAOVVQPNRSMPBR-HZPDHXFCSA-N 2 2 369.494 2.617 20 30 FFEDLP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001131533487 994361827 /nfs/dbraw/zinc/36/18/27/994361827.db2.gz HLRQDINHCSFMMM-CTNGQTDRSA-N 2 2 369.509 2.629 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001084352111 996479268 /nfs/dbraw/zinc/47/92/68/996479268.db2.gz RBJSNSACOUXCSE-UAFMIMERSA-N 2 2 368.525 2.653 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001084352111 996479270 /nfs/dbraw/zinc/47/92/70/996479270.db2.gz RBJSNSACOUXCSE-UAFMIMERSA-N 2 2 368.525 2.653 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000730096812 996846204 /nfs/dbraw/zinc/84/62/04/996846204.db2.gz XXPWGDOFTOYGNE-QFIPXVFZSA-N 2 2 361.489 2.582 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000730096812 996846224 /nfs/dbraw/zinc/84/62/24/996846224.db2.gz XXPWGDOFTOYGNE-QFIPXVFZSA-N 2 2 361.489 2.582 20 30 FFEDLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000903823395 1016243831 /nfs/dbraw/zinc/24/38/31/1016243831.db2.gz GGZCIFLBKVRLJF-CTNGQTDRSA-N 2 2 351.450 2.683 20 30 FFEDLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000903823395 1016243840 /nfs/dbraw/zinc/24/38/40/1016243840.db2.gz GGZCIFLBKVRLJF-CTNGQTDRSA-N 2 2 351.450 2.683 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453338 999992827 /nfs/dbraw/zinc/99/28/27/999992827.db2.gz HTAWHRYBEPMBEB-ZBFHGGJFSA-N 2 2 372.432 2.826 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453338 999992828 /nfs/dbraw/zinc/99/28/28/999992828.db2.gz HTAWHRYBEPMBEB-ZBFHGGJFSA-N 2 2 372.432 2.826 20 30 FFEDLP C#CCOc1ccccc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000772963207 1000559587 /nfs/dbraw/zinc/55/95/87/1000559587.db2.gz CIGNFYFXDMFZET-LJQANCHMSA-N 2 2 350.466 2.846 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922700 1001155032 /nfs/dbraw/zinc/15/50/32/1001155032.db2.gz KQPLKPTYDWUCOX-NFBUACBFSA-N 2 2 365.481 2.957 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922700 1001155037 /nfs/dbraw/zinc/15/50/37/1001155037.db2.gz KQPLKPTYDWUCOX-NFBUACBFSA-N 2 2 365.481 2.957 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(=C)C)C[C@H]1c1ccccc1 ZINC001086593153 1002548990 /nfs/dbraw/zinc/54/89/90/1002548990.db2.gz FIBRQHYJNQBKEZ-BDTNDASRSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1c1ccccc1 ZINC001086593153 1002549003 /nfs/dbraw/zinc/54/90/03/1002549003.db2.gz FIBRQHYJNQBKEZ-BDTNDASRSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(=C)C)C[C@H]1c1ccccc1 ZINC001086593153 1002549008 /nfs/dbraw/zinc/54/90/08/1002549008.db2.gz FIBRQHYJNQBKEZ-BDTNDASRSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(=C)C)C[C@H]1c1ccccc1 ZINC001086593153 1002549018 /nfs/dbraw/zinc/54/90/18/1002549018.db2.gz FIBRQHYJNQBKEZ-BDTNDASRSA-N 2 2 365.521 2.634 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086596444 1002628261 /nfs/dbraw/zinc/62/82/61/1002628261.db2.gz CIZJZAPOQOVLQG-AZUAARDMSA-N 2 2 368.481 2.510 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086596444 1002628270 /nfs/dbraw/zinc/62/82/70/1002628270.db2.gz CIZJZAPOQOVLQG-AZUAARDMSA-N 2 2 368.481 2.510 20 30 FFEDLP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001001413021 1016788137 /nfs/dbraw/zinc/78/81/37/1016788137.db2.gz KZJSLDZMLAXSRA-IEBWSBKVSA-N 2 2 356.514 2.558 20 30 FFEDLP Cc1ncc(C#N)cc1NC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001198018425 1004447694 /nfs/dbraw/zinc/44/76/94/1004447694.db2.gz QGSVRVKKYDFCSQ-UHFFFAOYSA-N 2 2 365.481 2.898 20 30 FFEDLP Cc1ncc(C#N)cc1NC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001198018425 1004447701 /nfs/dbraw/zinc/44/77/01/1004447701.db2.gz QGSVRVKKYDFCSQ-UHFFFAOYSA-N 2 2 365.481 2.898 20 30 FFEDLP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001488954216 1005385220 /nfs/dbraw/zinc/38/52/20/1005385220.db2.gz PWJHNVKAYDIOMK-HLAWJBBLSA-N 2 2 364.493 2.760 20 30 FFEDLP CCCCCCCCS(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001188002213 1006362489 /nfs/dbraw/zinc/36/24/89/1006362489.db2.gz ZENYYTRNONHDNN-UHFFFAOYSA-N 2 2 368.547 2.936 20 30 FFEDLP C#CCCCOc1cccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000853456708 1006396188 /nfs/dbraw/zinc/39/61/88/1006396188.db2.gz BFMOHZZFIWIRCI-YOFSQIOKSA-N 2 2 368.525 2.621 20 30 FFEDLP C#CCCCOc1cccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000853456708 1006396200 /nfs/dbraw/zinc/39/62/00/1006396200.db2.gz BFMOHZZFIWIRCI-YOFSQIOKSA-N 2 2 368.525 2.621 20 30 FFEDLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856597691 1007907025 /nfs/dbraw/zinc/90/70/25/1007907025.db2.gz KVCKJRMXGBVMRA-XLIONFOSSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856597691 1007907029 /nfs/dbraw/zinc/90/70/29/1007907029.db2.gz KVCKJRMXGBVMRA-XLIONFOSSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856597691 1007907032 /nfs/dbraw/zinc/90/70/32/1007907032.db2.gz KVCKJRMXGBVMRA-XLIONFOSSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856597691 1007907034 /nfs/dbraw/zinc/90/70/34/1007907034.db2.gz KVCKJRMXGBVMRA-XLIONFOSSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccncc3C#N)C2)ccn1 ZINC000856606579 1007915454 /nfs/dbraw/zinc/91/54/54/1007915454.db2.gz LIZAKAYVLFGQJU-OAQYLSRUSA-N 2 2 365.481 2.842 20 30 FFEDLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccncc3C#N)C2)ccn1 ZINC000856606579 1007915464 /nfs/dbraw/zinc/91/54/64/1007915464.db2.gz LIZAKAYVLFGQJU-OAQYLSRUSA-N 2 2 365.481 2.842 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccncc3C#N)C2)ccn1 ZINC000856606579 1007915473 /nfs/dbraw/zinc/91/54/73/1007915473.db2.gz LIZAKAYVLFGQJU-OAQYLSRUSA-N 2 2 365.481 2.842 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccncc3C#N)C2)ccn1 ZINC000856606579 1007915481 /nfs/dbraw/zinc/91/54/81/1007915481.db2.gz LIZAKAYVLFGQJU-OAQYLSRUSA-N 2 2 365.481 2.842 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@H]3C[C@H]4CN(C(=O)OC(C)(C)C)[C@H]2[C@H]4C3)CC1 ZINC000820810346 1008374142 /nfs/dbraw/zinc/37/41/42/1008374142.db2.gz VENGWWXMBPKKRG-JAQSECSASA-N 2 2 361.530 2.870 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC4(CO3)CCOCC4)CC2)cc1 ZINC000865779187 1010861398 /nfs/dbraw/zinc/86/13/98/1010861398.db2.gz CZAIHVURTJIILS-OAQYLSRUSA-N 2 2 369.509 2.698 20 30 FFEDLP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866274508 1010967320 /nfs/dbraw/zinc/96/73/20/1010967320.db2.gz MUIWNPHMGNJBEV-QGZVFWFLSA-N 2 2 356.514 2.865 20 30 FFEDLP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[N@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419917 1011104478 /nfs/dbraw/zinc/10/44/78/1011104478.db2.gz JCMQFYIJMXYQIC-QKNQBKEWSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[N@@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419917 1011104480 /nfs/dbraw/zinc/10/44/80/1011104480.db2.gz JCMQFYIJMXYQIC-QKNQBKEWSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419917 1011104481 /nfs/dbraw/zinc/10/44/81/1011104481.db2.gz JCMQFYIJMXYQIC-QKNQBKEWSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419917 1011104482 /nfs/dbraw/zinc/10/44/82/1011104482.db2.gz JCMQFYIJMXYQIC-QKNQBKEWSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094513980 1011181661 /nfs/dbraw/zinc/18/16/61/1011181661.db2.gz BYBSJBIIJDBRPT-FXRXJOCMSA-N 2 2 362.905 2.637 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094513980 1011181664 /nfs/dbraw/zinc/18/16/64/1011181664.db2.gz BYBSJBIIJDBRPT-FXRXJOCMSA-N 2 2 362.905 2.637 20 30 FFEDLP C=CCCCCCCC[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001275336491 1012324377 /nfs/dbraw/zinc/32/43/77/1012324377.db2.gz DLSLSIIGXVGPQM-RBUKOAKNSA-N 2 2 357.489 2.649 20 30 FFEDLP C=CCCCCCCC[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001275336491 1012324398 /nfs/dbraw/zinc/32/43/98/1012324398.db2.gz DLSLSIIGXVGPQM-RBUKOAKNSA-N 2 2 357.489 2.649 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000303778962 1012429088 /nfs/dbraw/zinc/42/90/88/1012429088.db2.gz KEMOFXJHSGGYHX-QGZVFWFLSA-N 2 2 360.433 2.872 20 30 FFEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303876046 1012477809 /nfs/dbraw/zinc/47/78/09/1012477809.db2.gz DORKCFMCICDTQX-CRAIPNDOSA-N 2 2 372.538 2.787 20 30 FFEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303876046 1012477827 /nfs/dbraw/zinc/47/78/27/1012477827.db2.gz DORKCFMCICDTQX-CRAIPNDOSA-N 2 2 372.538 2.787 20 30 FFEDLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)C1 ZINC001097860247 1018041954 /nfs/dbraw/zinc/04/19/54/1018041954.db2.gz HHDJZQQHDFEXJO-AQNXPRMDSA-N 2 2 366.509 2.512 20 30 FFEDLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)C1 ZINC001097860247 1018041967 /nfs/dbraw/zinc/04/19/67/1018041967.db2.gz HHDJZQQHDFEXJO-AQNXPRMDSA-N 2 2 366.509 2.512 20 30 FFEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C1 ZINC001097860247 1018041982 /nfs/dbraw/zinc/04/19/82/1018041982.db2.gz HHDJZQQHDFEXJO-AQNXPRMDSA-N 2 2 366.509 2.512 20 30 FFEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C1 ZINC001097860247 1018041998 /nfs/dbraw/zinc/04/19/98/1018041998.db2.gz HHDJZQQHDFEXJO-AQNXPRMDSA-N 2 2 366.509 2.512 20 30 FFEDLP CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001045468066 1019979288 /nfs/dbraw/zinc/97/92/88/1019979288.db2.gz ZOXBOWZGBADDNU-QZTJIDSGSA-N 2 2 363.465 2.556 20 30 FFEDLP COC(=O)[C@@H]1C[C@H](OCC[S+](c2ccccc2)c2ccccc2)C[NH2+]1 ZINC001217822466 1032879302 /nfs/dbraw/zinc/87/93/02/1032879302.db2.gz RRXUBNWRZDCQFY-LPHOPBHVSA-N 2 2 358.483 2.643 20 30 FFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001048565172 1020316130 /nfs/dbraw/zinc/31/61/30/1020316130.db2.gz LVMLMWZKGVPROK-RHQZKXFESA-N 2 2 356.514 2.849 20 30 FFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001048565172 1020316136 /nfs/dbraw/zinc/31/61/36/1020316136.db2.gz LVMLMWZKGVPROK-RHQZKXFESA-N 2 2 356.514 2.849 20 30 FFEDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cc(C#N)ccn3)cc2)CC1 ZINC000902750138 1020449496 /nfs/dbraw/zinc/44/94/96/1020449496.db2.gz ATLVDJUBYJXAFB-SFHVURJKSA-N 2 2 363.509 2.942 20 30 FFEDLP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337426 1020776409 /nfs/dbraw/zinc/77/64/09/1020776409.db2.gz RYUGPGYFOKTZGV-HDICACEKSA-N 2 2 357.498 2.780 20 30 FFEDLP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CCO[C@@H](C)CC3)c2)CCO1 ZINC000932337426 1020776413 /nfs/dbraw/zinc/77/64/13/1020776413.db2.gz RYUGPGYFOKTZGV-HDICACEKSA-N 2 2 357.498 2.780 20 30 FFEDLP CC(C)O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC000903356804 1020803016 /nfs/dbraw/zinc/80/30/16/1020803016.db2.gz HINFXHZLMCIXFE-OAQYLSRUSA-N 2 2 357.498 2.696 20 30 FFEDLP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCOCC1)c1ccccc1 ZINC001120581942 1023370081 /nfs/dbraw/zinc/37/00/81/1023370081.db2.gz OIXORUIGCBFIPV-MJGOQNOKSA-N 2 2 357.498 2.531 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001103271488 1027138111 /nfs/dbraw/zinc/13/81/11/1027138111.db2.gz QSTSVBQHYCAHGI-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001103271488 1027138113 /nfs/dbraw/zinc/13/81/13/1027138113.db2.gz QSTSVBQHYCAHGI-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001103271488 1027138122 /nfs/dbraw/zinc/13/81/22/1027138122.db2.gz QSTSVBQHYCAHGI-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001103271488 1027138130 /nfs/dbraw/zinc/13/81/30/1027138130.db2.gz QSTSVBQHYCAHGI-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP N#CC1(c2ccccc2F)CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001158889765 1027178370 /nfs/dbraw/zinc/17/83/70/1027178370.db2.gz ZGELREQNENWCNH-UHFFFAOYSA-N 2 2 365.456 2.692 20 30 FFEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c1 ZINC000093079182 1027596313 /nfs/dbraw/zinc/59/63/13/1027596313.db2.gz JPARUSUXDQNHCS-UHFFFAOYSA-N 2 2 365.481 2.762 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C(F)(F)F ZINC001112121487 1030050262 /nfs/dbraw/zinc/05/02/62/1030050262.db2.gz ODVOOWLKFVYNBT-HUUCEWRRSA-N 2 2 371.403 2.578 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C(F)(F)F ZINC001112164819 1030129734 /nfs/dbraw/zinc/12/97/34/1030129734.db2.gz SIBQENXUFQAXRQ-UMVBOHGHSA-N 2 2 370.419 2.775 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112171687 1030142207 /nfs/dbraw/zinc/14/22/07/1030142207.db2.gz UUEOREAVUAFYNA-RBSFLKMASA-N 2 2 358.408 2.779 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001112436743 1030807673 /nfs/dbraw/zinc/80/76/73/1030807673.db2.gz DALFHYPXQOZRIC-LQWHRVPQSA-N 2 2 356.514 2.630 20 30 FFEDLP N#Cc1ccc2c(C[N@H+]3CCc4[nH+]cc(Cn5cccn5)n4CC3)c[nH]c2c1 ZINC001142917339 1031050278 /nfs/dbraw/zinc/05/02/78/1031050278.db2.gz ZYHFZHBUIWVYEG-UHFFFAOYSA-N 2 2 371.448 2.539 20 30 FFEDLP N#Cc1ccc2c(C[N@@H+]3CCc4[nH+]cc(Cn5cccn5)n4CC3)c[nH]c2c1 ZINC001142917339 1031050298 /nfs/dbraw/zinc/05/02/98/1031050298.db2.gz ZYHFZHBUIWVYEG-UHFFFAOYSA-N 2 2 371.448 2.539 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(OC)cc(C)cc2OC)CC1 ZINC001143147204 1031264521 /nfs/dbraw/zinc/26/45/21/1031264521.db2.gz HFPCCLMTJUWDSJ-UHFFFAOYSA-N 2 2 373.541 2.804 20 30 FFEDLP N#Cc1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)ccc1F ZINC001205473406 1031773415 /nfs/dbraw/zinc/77/34/15/1031773415.db2.gz YBXZDSWVSDKNHP-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP N#Cc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)ccc1F ZINC001205473406 1031773429 /nfs/dbraw/zinc/77/34/29/1031773429.db2.gz YBXZDSWVSDKNHP-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205657829 1031911480 /nfs/dbraw/zinc/91/14/80/1031911480.db2.gz NEKTWTWGGCRDTP-XKGZKEIXSA-N 2 2 368.456 2.581 20 30 FFEDLP N#Cc1ccc(-c2csc(NC(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)n2)s1 ZINC001218787553 1033339972 /nfs/dbraw/zinc/33/99/72/1033339972.db2.gz GUDQQOIRDQXWBA-ZDUSSCGKSA-N 2 2 369.475 2.954 20 30 FFEDLP N#Cc1ccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c(OC(F)(F)F)c1 ZINC001218841356 1033369595 /nfs/dbraw/zinc/36/95/95/1033369595.db2.gz ZCUACKOEBMPWHU-CYBMUJFWSA-N 2 2 364.327 2.668 20 30 FFEDLP C=CCOc1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001139027818 1034894646 /nfs/dbraw/zinc/89/46/46/1034894646.db2.gz CSXFWTLXWREWTN-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccccc1C[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001139027818 1034894651 /nfs/dbraw/zinc/89/46/51/1034894651.db2.gz CSXFWTLXWREWTN-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001139027818 1034894655 /nfs/dbraw/zinc/89/46/55/1034894655.db2.gz CSXFWTLXWREWTN-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001139027818 1034894660 /nfs/dbraw/zinc/89/46/60/1034894660.db2.gz CSXFWTLXWREWTN-JOCHJYFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001226964197 1034896806 /nfs/dbraw/zinc/89/68/06/1034896806.db2.gz CPPWSCFVBSDMNQ-GUDVDZBRSA-N 2 2 362.518 2.690 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001229658943 1036810135 /nfs/dbraw/zinc/81/01/35/1036810135.db2.gz RZIUGLPUJJTVKD-QZTJIDSGSA-N 2 2 353.470 2.864 20 30 FFEDLP C#CCN1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)C1=O ZINC001277889287 1037175214 /nfs/dbraw/zinc/17/52/14/1037175214.db2.gz IAESZGNIHALBNQ-FQEVSTJZSA-N 2 2 368.868 2.583 20 30 FFEDLP C#CCN1CC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)C1=O ZINC001277889287 1037175217 /nfs/dbraw/zinc/17/52/17/1037175217.db2.gz IAESZGNIHALBNQ-FQEVSTJZSA-N 2 2 368.868 2.583 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCc4cccc(C#N)c4)C[C@H]3C2)cn1 ZINC001208849842 1038556154 /nfs/dbraw/zinc/55/61/54/1038556154.db2.gz NJNZKKLCGCNPHG-YADHBBJMSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCc4cccc(C#N)c4)C[C@H]3C2)cn1 ZINC001208849842 1038556159 /nfs/dbraw/zinc/55/61/59/1038556159.db2.gz NJNZKKLCGCNPHG-YADHBBJMSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCc4cccc(C#N)c4)C[C@H]3C2)cn1 ZINC001208849842 1038556162 /nfs/dbraw/zinc/55/61/62/1038556162.db2.gz NJNZKKLCGCNPHG-YADHBBJMSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCc4cccc(C#N)c4)C[C@H]3C2)cn1 ZINC001208849842 1038556167 /nfs/dbraw/zinc/55/61/67/1038556167.db2.gz NJNZKKLCGCNPHG-YADHBBJMSA-N 2 2 363.509 2.678 20 30 FFEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246033694 1039205964 /nfs/dbraw/zinc/20/59/64/1039205964.db2.gz ONFFWIBJABOQOT-TZIWHRDSSA-N 2 2 367.578 2.822 20 30 FFEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246033694 1039205976 /nfs/dbraw/zinc/20/59/76/1039205976.db2.gz ONFFWIBJABOQOT-TZIWHRDSSA-N 2 2 367.578 2.822 20 30 FFEDLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)C1 ZINC001278734956 1040299229 /nfs/dbraw/zinc/29/92/29/1040299229.db2.gz NBFPTKFMIZLJND-UHFFFAOYSA-N 2 2 358.505 2.937 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001264037833 1042590412 /nfs/dbraw/zinc/59/04/12/1042590412.db2.gz BILQJLUQHADKOM-NHCUHLMSSA-N 2 2 366.509 2.903 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001264037833 1042590413 /nfs/dbraw/zinc/59/04/13/1042590413.db2.gz BILQJLUQHADKOM-NHCUHLMSSA-N 2 2 366.509 2.903 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C[C@H]4CCCO4)C3)C2)cc1C#N ZINC001279467994 1043150469 /nfs/dbraw/zinc/15/04/69/1043150469.db2.gz QZABAXZKEAFMRQ-RTWAWAEBSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C[C@H]4CCCO4)C3)C2)cc1C#N ZINC001279467994 1043150471 /nfs/dbraw/zinc/15/04/71/1043150471.db2.gz QZABAXZKEAFMRQ-RTWAWAEBSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C[C@H]4CCCO4)C3)C2)cc1C#N ZINC001279467994 1043150473 /nfs/dbraw/zinc/15/04/73/1043150473.db2.gz QZABAXZKEAFMRQ-RTWAWAEBSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C[C@H]4CCCO4)C3)C2)cc1C#N ZINC001279467994 1043150477 /nfs/dbraw/zinc/15/04/77/1043150477.db2.gz QZABAXZKEAFMRQ-RTWAWAEBSA-N 2 2 356.514 2.754 20 30 FFEDLP Cc1scnc1C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001279561303 1043258174 /nfs/dbraw/zinc/25/81/74/1043258174.db2.gz JDZANFWKCZHTNE-UHFFFAOYSA-N 2 2 355.511 2.760 20 30 FFEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCCc3ccccc3F)cc2F)CC1 ZINC001322629237 1046156876 /nfs/dbraw/zinc/15/68/76/1046156876.db2.gz ICNCGJHGMGLYNI-UHFFFAOYSA-N 2 2 358.436 2.883 20 30 FFEDLP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001326482066 1046951159 /nfs/dbraw/zinc/95/11/59/1046951159.db2.gz UVXPKDPIALOWEU-ATZDWAIDSA-N 2 2 350.466 2.514 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001351615718 1054923576 /nfs/dbraw/zinc/92/35/76/1054923576.db2.gz LQXLIHUZWMAOHN-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001351615718 1054923580 /nfs/dbraw/zinc/92/35/80/1054923580.db2.gz LQXLIHUZWMAOHN-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1Cl ZINC001567218501 1077006228 /nfs/dbraw/zinc/00/62/28/1077006228.db2.gz KWPFRXDYWMDHSY-DJIMGWMZSA-N 2 2 370.884 2.703 20 30 FFEDLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC#Cc1ccccc1Cl ZINC001567218501 1077006233 /nfs/dbraw/zinc/00/62/33/1077006233.db2.gz KWPFRXDYWMDHSY-DJIMGWMZSA-N 2 2 370.884 2.703 20 30 FFEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278812570 256350505 /nfs/dbraw/zinc/35/05/05/256350505.db2.gz GSTUKGZGHMCPMI-UHFFFAOYSA-N 2 2 363.465 2.909 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795287 507987979 /nfs/dbraw/zinc/98/79/79/507987979.db2.gz KRSCUNNHCMKQFT-UHFFFAOYSA-N 2 2 355.467 2.774 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OC ZINC000104178804 508329619 /nfs/dbraw/zinc/32/96/19/508329619.db2.gz RBOXFFCIAULBNX-UHFFFAOYSA-N 2 2 369.400 2.955 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152482257 508455096 /nfs/dbraw/zinc/45/50/96/508455096.db2.gz QLCYZEUOXDPRRW-QZTJIDSGSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152482257 508455101 /nfs/dbraw/zinc/45/51/01/508455101.db2.gz QLCYZEUOXDPRRW-QZTJIDSGSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152482257 508455103 /nfs/dbraw/zinc/45/51/03/508455103.db2.gz QLCYZEUOXDPRRW-QZTJIDSGSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152482257 508455105 /nfs/dbraw/zinc/45/51/05/508455105.db2.gz QLCYZEUOXDPRRW-QZTJIDSGSA-N 2 2 372.513 2.604 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123294220 508665027 /nfs/dbraw/zinc/66/50/27/508665027.db2.gz YRTAPUWOHMMZLA-RTBURBONSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123294220 508665032 /nfs/dbraw/zinc/66/50/32/508665032.db2.gz YRTAPUWOHMMZLA-RTBURBONSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123294220 508665034 /nfs/dbraw/zinc/66/50/34/508665034.db2.gz YRTAPUWOHMMZLA-RTBURBONSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123294220 508665038 /nfs/dbraw/zinc/66/50/38/508665038.db2.gz YRTAPUWOHMMZLA-RTBURBONSA-N 2 2 356.514 2.965 20 30 FFEDLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000144049066 508835977 /nfs/dbraw/zinc/83/59/77/508835977.db2.gz LJBZWFZWAHGFQD-OAQYLSRUSA-N 2 2 362.477 2.505 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150841183 508905430 /nfs/dbraw/zinc/90/54/30/508905430.db2.gz MYWUETYAHYKTRO-FQEVSTJZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150841183 508905431 /nfs/dbraw/zinc/90/54/31/508905431.db2.gz MYWUETYAHYKTRO-FQEVSTJZSA-N 2 2 368.525 2.968 20 30 FFEDLP CC(C)c1nc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(N(C)C)[nH+]1 ZINC000160504583 508996726 /nfs/dbraw/zinc/99/67/26/508996726.db2.gz WLVFLRXENVNLSX-UHFFFAOYSA-N 2 2 367.501 2.501 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000120754032 509058493 /nfs/dbraw/zinc/05/84/93/509058493.db2.gz OZEJCAAQYSQDLJ-QZTJIDSGSA-N 2 2 356.514 2.557 20 30 FFEDLP Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000267010199 509304825 /nfs/dbraw/zinc/30/48/25/509304825.db2.gz MDKFYPVZHOWUER-UHFFFAOYSA-N 2 2 354.454 2.641 20 30 FFEDLP Cc1oc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185708199 509317512 /nfs/dbraw/zinc/31/75/12/509317512.db2.gz QCNRDKBVFYWLHJ-HOCLYGCPSA-N 2 2 358.486 2.949 20 30 FFEDLP Cc1oc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185708199 509317517 /nfs/dbraw/zinc/31/75/17/509317517.db2.gz QCNRDKBVFYWLHJ-HOCLYGCPSA-N 2 2 358.486 2.949 20 30 FFEDLP C=CCN(Cc1ccccc1F)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179288974 509359195 /nfs/dbraw/zinc/35/91/95/509359195.db2.gz AZRMDUDLECXNMK-UHFFFAOYSA-N 2 2 362.493 2.549 20 30 FFEDLP Cc1c(C#N)cccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000186718669 509870376 /nfs/dbraw/zinc/87/03/76/509870376.db2.gz BUCHZKIJGGEVIA-UHFFFAOYSA-N 2 2 355.486 2.547 20 30 FFEDLP CC/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262019863 510150768 /nfs/dbraw/zinc/15/07/68/510150768.db2.gz YMOMRGOWIMYXNB-ZBFHGGJFSA-N 2 2 371.514 2.641 20 30 FFEDLP Cc1cccc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000171682867 510305398 /nfs/dbraw/zinc/30/53/98/510305398.db2.gz VOKFSEDDNJEPBW-UHFFFAOYSA-N 2 2 353.466 2.789 20 30 FFEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000266150704 510434392 /nfs/dbraw/zinc/43/43/92/510434392.db2.gz KGUYIFBUMPYUOD-SFTDATJTSA-N 2 2 365.477 2.539 20 30 FFEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000266150704 510434397 /nfs/dbraw/zinc/43/43/97/510434397.db2.gz KGUYIFBUMPYUOD-SFTDATJTSA-N 2 2 365.477 2.539 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC(=O)N3CCCCC3)CC2)cc1 ZINC000181528642 510455865 /nfs/dbraw/zinc/45/58/65/510455865.db2.gz KKFOQWCEZXSHKW-UHFFFAOYSA-N 2 2 354.498 2.515 20 30 FFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N1CCCC[C@H]1C ZINC000181655876 510523901 /nfs/dbraw/zinc/52/39/01/510523901.db2.gz FBIQRMRLFKYZAP-MSOLQXFVSA-N 2 2 368.525 2.902 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000270056028 510654532 /nfs/dbraw/zinc/65/45/32/510654532.db2.gz FSTTUJCHURVLFJ-IBGZPJMESA-N 2 2 364.493 2.681 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000270127667 510685371 /nfs/dbraw/zinc/68/53/71/510685371.db2.gz GQKOURGBCBAIAP-UTKZUKDTSA-N 2 2 367.497 2.864 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000270127667 510685380 /nfs/dbraw/zinc/68/53/80/510685380.db2.gz GQKOURGBCBAIAP-UTKZUKDTSA-N 2 2 367.497 2.864 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000270343255 510769861 /nfs/dbraw/zinc/76/98/61/510769861.db2.gz OGYXBJMDHJHQJL-LAUBAEHRSA-N 2 2 365.481 2.618 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000270343255 510769870 /nfs/dbraw/zinc/76/98/70/510769870.db2.gz OGYXBJMDHJHQJL-LAUBAEHRSA-N 2 2 365.481 2.618 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246993963 510788986 /nfs/dbraw/zinc/78/89/86/510788986.db2.gz WOFZSZLUJFDYFA-OXFYSEKESA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246993963 510788994 /nfs/dbraw/zinc/78/89/94/510788994.db2.gz WOFZSZLUJFDYFA-OXFYSEKESA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246993963 510789003 /nfs/dbraw/zinc/78/90/03/510789003.db2.gz WOFZSZLUJFDYFA-OXFYSEKESA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246993963 510789008 /nfs/dbraw/zinc/78/90/08/510789008.db2.gz WOFZSZLUJFDYFA-OXFYSEKESA-N 2 2 352.482 2.834 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000297857122 511090595 /nfs/dbraw/zinc/09/05/95/511090595.db2.gz ZZVLHIGCOONYSB-SFHVURJKSA-N 2 2 353.470 2.791 20 30 FFEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329455790 512050521 /nfs/dbraw/zinc/05/05/21/512050521.db2.gz PYUXKGWUFZOFTK-IXDOHACOSA-N 2 2 373.545 2.968 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196847 515241626 /nfs/dbraw/zinc/24/16/26/515241626.db2.gz XZORPVVPTITEGZ-TYCQWZJGSA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196847 515241635 /nfs/dbraw/zinc/24/16/35/515241635.db2.gz XZORPVVPTITEGZ-TYCQWZJGSA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000506042064 515760159 /nfs/dbraw/zinc/76/01/59/515760159.db2.gz NYVKSNGFTUBJSP-SFHVURJKSA-N 2 2 354.498 2.517 20 30 FFEDLP N#CCC1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000543807512 516437189 /nfs/dbraw/zinc/43/71/89/516437189.db2.gz QEFJWNBQMXXTRO-UHFFFAOYSA-N 2 2 372.538 2.800 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000533813249 517622268 /nfs/dbraw/zinc/62/22/68/517622268.db2.gz WCHSLYBTHMBDFS-UHFFFAOYSA-N 2 2 362.543 2.616 20 30 FFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC#Cc3cccc(F)c3)c2cc1C ZINC000569961195 518377376 /nfs/dbraw/zinc/37/73/76/518377376.db2.gz BCJGLYZJOKKQMD-IBGZPJMESA-N 2 2 351.425 2.794 20 30 FFEDLP CC[C@H](CC#N)[NH2+]CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000575999256 518382506 /nfs/dbraw/zinc/38/25/06/518382506.db2.gz CYJWJOSZHFADHU-QUCCMNQESA-N 2 2 372.513 2.620 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000570407482 518593377 /nfs/dbraw/zinc/59/33/77/518593377.db2.gz CQPAJOUIMATHCB-HZPDHXFCSA-N 2 2 358.511 2.874 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000570407482 518593385 /nfs/dbraw/zinc/59/33/85/518593385.db2.gz CQPAJOUIMATHCB-HZPDHXFCSA-N 2 2 358.511 2.874 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000576491339 518619124 /nfs/dbraw/zinc/61/91/24/518619124.db2.gz YDESUVLNQSCWNU-SJLPKXTDSA-N 2 2 367.497 2.817 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567888645 518767292 /nfs/dbraw/zinc/76/72/92/518767292.db2.gz MQCSRHNQCACSRS-OXJNMPFZSA-N 2 2 360.465 2.601 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567888645 518767295 /nfs/dbraw/zinc/76/72/95/518767295.db2.gz MQCSRHNQCACSRS-OXJNMPFZSA-N 2 2 360.465 2.601 20 30 FFEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cnc12 ZINC000566245750 519390491 /nfs/dbraw/zinc/39/04/91/519390491.db2.gz RMVQAVKDDHJRBW-QGZVFWFLSA-N 2 2 352.486 2.689 20 30 FFEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cnc12 ZINC000566245750 519390496 /nfs/dbraw/zinc/39/04/96/519390496.db2.gz RMVQAVKDDHJRBW-QGZVFWFLSA-N 2 2 352.486 2.689 20 30 FFEDLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000569513920 519588345 /nfs/dbraw/zinc/58/83/45/519588345.db2.gz QORLNWCWMVDFHT-GJZGRUSLSA-N 2 2 356.495 2.914 20 30 FFEDLP C[N@H+](CCCC[NH+]1CCCCC1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000603110059 520084517 /nfs/dbraw/zinc/08/45/17/520084517.db2.gz LEWYWKZOXADSET-UHFFFAOYSA-N 2 2 363.527 2.530 20 30 FFEDLP C[N@@H+](CCCC[NH+]1CCCCC1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000603110059 520084524 /nfs/dbraw/zinc/08/45/24/520084524.db2.gz LEWYWKZOXADSET-UHFFFAOYSA-N 2 2 363.527 2.530 20 30 FFEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000594996204 520249771 /nfs/dbraw/zinc/24/97/71/520249771.db2.gz VNVVMAPQQMCFND-FQEVSTJZSA-N 2 2 352.457 2.603 20 30 FFEDLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000594996204 520249780 /nfs/dbraw/zinc/24/97/80/520249780.db2.gz VNVVMAPQQMCFND-FQEVSTJZSA-N 2 2 352.457 2.603 20 30 FFEDLP Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597994020 520366161 /nfs/dbraw/zinc/36/61/61/520366161.db2.gz XDQJVMLWMZIXFT-UHFFFAOYSA-N 2 2 358.511 2.695 20 30 FFEDLP Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597994020 520366168 /nfs/dbraw/zinc/36/61/68/520366168.db2.gz XDQJVMLWMZIXFT-UHFFFAOYSA-N 2 2 358.511 2.695 20 30 FFEDLP N#C[C@H]1CCC[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000613255782 520413528 /nfs/dbraw/zinc/41/35/28/520413528.db2.gz HHCBSTJOOSHXGQ-JKSUJKDBSA-N 2 2 353.470 2.932 20 30 FFEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CCOCC1 ZINC000600713919 520415181 /nfs/dbraw/zinc/41/51/81/520415181.db2.gz GLQXLFCZSISWBR-SJORKVTESA-N 2 2 363.527 2.546 20 30 FFEDLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000600736794 520435532 /nfs/dbraw/zinc/43/55/32/520435532.db2.gz SSSKMUNWGNWUSF-SFTDATJTSA-N 2 2 371.525 2.558 20 30 FFEDLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000600736794 520435540 /nfs/dbraw/zinc/43/55/40/520435540.db2.gz SSSKMUNWGNWUSF-SFTDATJTSA-N 2 2 371.525 2.558 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000610025161 520510998 /nfs/dbraw/zinc/51/09/98/520510998.db2.gz ANSVCAZLNREOPJ-UHFFFAOYSA-N 2 2 374.448 2.946 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC000610025161 520511003 /nfs/dbraw/zinc/51/10/03/520511003.db2.gz ANSVCAZLNREOPJ-UHFFFAOYSA-N 2 2 374.448 2.946 20 30 FFEDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3C#N)cn2)CC1 ZINC000602004435 521073230 /nfs/dbraw/zinc/07/32/30/521073230.db2.gz MDQQKLFRMNSJTK-UHFFFAOYSA-N 2 2 353.445 2.524 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000602045569 521099767 /nfs/dbraw/zinc/09/97/67/521099767.db2.gz DMFLONGOEZFVRP-UHFFFAOYSA-N 2 2 365.481 2.613 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000602045569 521099779 /nfs/dbraw/zinc/09/97/79/521099779.db2.gz DMFLONGOEZFVRP-UHFFFAOYSA-N 2 2 365.481 2.613 20 30 FFEDLP CC(C)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000602087482 521133982 /nfs/dbraw/zinc/13/39/82/521133982.db2.gz HVVIXYXNSKVGKJ-FQEVSTJZSA-N 2 2 367.497 2.932 20 30 FFEDLP N#Cc1c(F)cccc1N1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000596986790 521426228 /nfs/dbraw/zinc/42/62/28/521426228.db2.gz UAPMSKJHKLHYCV-UHFFFAOYSA-N 2 2 362.412 2.600 20 30 FFEDLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612157899 521511050 /nfs/dbraw/zinc/51/10/50/521511050.db2.gz FYHPJFBFIVJWRC-GCJKJVERSA-N 2 2 368.525 2.781 20 30 FFEDLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612157899 521511057 /nfs/dbraw/zinc/51/10/57/521511057.db2.gz FYHPJFBFIVJWRC-GCJKJVERSA-N 2 2 368.525 2.781 20 30 FFEDLP COc1cc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)ccc1C#N ZINC000619654363 521815138 /nfs/dbraw/zinc/81/51/38/521815138.db2.gz AQSIBRFMZBGVQM-UHFFFAOYSA-N 2 2 357.498 2.939 20 30 FFEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000858467108 730426521 /nfs/dbraw/zinc/42/65/21/730426521.db2.gz QPPMHPNDDHHRSV-QAPCUYQASA-N 2 2 365.905 2.808 20 30 FFEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000858467108 730426523 /nfs/dbraw/zinc/42/65/23/730426523.db2.gz QPPMHPNDDHHRSV-QAPCUYQASA-N 2 2 365.905 2.808 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001104902367 971128197 /nfs/dbraw/zinc/12/81/97/971128197.db2.gz QHDVRACLBGFIJQ-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cc(C#N)cs3)CC2)cc1 ZINC000177682011 962143258 /nfs/dbraw/zinc/14/32/58/962143258.db2.gz UNXJKUCNNZCOAP-UHFFFAOYSA-N 2 2 370.522 2.930 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087469005 965287203 /nfs/dbraw/zinc/28/72/03/965287203.db2.gz CWCYYRYVTCEDKN-IEBWSBKVSA-N 2 2 356.445 2.560 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087469005 965287216 /nfs/dbraw/zinc/28/72/16/965287216.db2.gz CWCYYRYVTCEDKN-IEBWSBKVSA-N 2 2 356.445 2.560 20 30 FFEDLP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001075453835 966840964 /nfs/dbraw/zinc/84/09/64/966840964.db2.gz CFYRDYYNTORJLK-DFQSSKMNSA-N 2 2 368.525 2.877 20 30 FFEDLP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001075453835 966840972 /nfs/dbraw/zinc/84/09/72/966840972.db2.gz CFYRDYYNTORJLK-DFQSSKMNSA-N 2 2 368.525 2.877 20 30 FFEDLP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001075453835 966840980 /nfs/dbraw/zinc/84/09/80/966840980.db2.gz CFYRDYYNTORJLK-DFQSSKMNSA-N 2 2 368.525 2.877 20 30 FFEDLP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001075453835 966840987 /nfs/dbraw/zinc/84/09/87/966840987.db2.gz CFYRDYYNTORJLK-DFQSSKMNSA-N 2 2 368.525 2.877 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001075802519 967704575 /nfs/dbraw/zinc/70/45/75/967704575.db2.gz HBXBTSQCHILBFJ-IYWMVGAKSA-N 2 2 368.525 2.653 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001075802519 967704578 /nfs/dbraw/zinc/70/45/78/967704578.db2.gz HBXBTSQCHILBFJ-IYWMVGAKSA-N 2 2 368.525 2.653 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001087429618 975812259 /nfs/dbraw/zinc/81/22/59/975812259.db2.gz UCTLMTCHOMTTDI-VAMGGRTRSA-N 2 2 364.493 2.921 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001087429618 975812266 /nfs/dbraw/zinc/81/22/66/975812266.db2.gz UCTLMTCHOMTTDI-VAMGGRTRSA-N 2 2 364.493 2.921 20 30 FFEDLP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001482034696 977939576 /nfs/dbraw/zinc/93/95/76/977939576.db2.gz XLWWBQBIMIJVEA-IAGOWNOFSA-N 2 2 358.873 2.682 20 30 FFEDLP CN(C)[C@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000922755466 988879049 /nfs/dbraw/zinc/87/90/49/988879049.db2.gz VQNLTAGZDVWWOG-GOSISDBHSA-N 2 2 368.447 2.995 20 30 FFEDLP O=[N+]([O-])c1cc(C=[NH+]NCC[NH+]2CCCCC2)ccc1N1CCCCC1 ZINC000915973799 989716969 /nfs/dbraw/zinc/71/69/69/989716969.db2.gz MMUHTFMGMSFFOH-UHFFFAOYSA-N 2 2 359.474 2.995 20 30 FFEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000923565008 991258161 /nfs/dbraw/zinc/25/81/61/991258161.db2.gz BNIAEPWSFYMAEI-MOPGFXCFSA-N 2 2 368.525 2.707 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000923565008 991258170 /nfs/dbraw/zinc/25/81/70/991258170.db2.gz BNIAEPWSFYMAEI-MOPGFXCFSA-N 2 2 368.525 2.707 20 30 FFEDLP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484196494 991456141 /nfs/dbraw/zinc/45/61/41/991456141.db2.gz UNAPHSDHUNGTOV-ARFHVFGLSA-N 2 2 366.456 2.563 20 30 FFEDLP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484196494 991456146 /nfs/dbraw/zinc/45/61/46/991456146.db2.gz UNAPHSDHUNGTOV-ARFHVFGLSA-N 2 2 366.456 2.563 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cccc(F)c1 ZINC001079198862 991874021 /nfs/dbraw/zinc/87/40/21/991874021.db2.gz WDBONVZUXLMENV-JENIJYKNSA-N 2 2 368.456 2.739 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1cccc(F)c1 ZINC001079191215 991904694 /nfs/dbraw/zinc/90/46/94/991904694.db2.gz CBTCEXDXXRCJSN-ZWKOTPCHSA-N 2 2 364.424 2.857 20 30 FFEDLP C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554365 993160418 /nfs/dbraw/zinc/16/04/18/993160418.db2.gz NDDNXTYWMNCVHG-DBXWQHBBSA-N 2 2 368.525 2.759 20 30 FFEDLP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+]1CCCCCC1 ZINC001080554365 993160421 /nfs/dbraw/zinc/16/04/21/993160421.db2.gz NDDNXTYWMNCVHG-DBXWQHBBSA-N 2 2 368.525 2.759 20 30 FFEDLP CCOc1ccc(OCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000747839087 995625318 /nfs/dbraw/zinc/62/53/18/995625318.db2.gz XLFUPJOBFFYPQW-UHFFFAOYSA-N 2 2 357.454 2.863 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1ccc(OC)cc1 ZINC001090883070 997612964 /nfs/dbraw/zinc/61/29/64/997612964.db2.gz XMHKXGHOASVBQH-FFZOFVMBSA-N 2 2 368.481 2.613 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984991 999939112 /nfs/dbraw/zinc/93/91/12/999939112.db2.gz WNCJJWDCTRRYIA-MRXNPFEDSA-N 2 2 372.432 2.826 20 30 FFEDLP Cc1[nH+]ccn1-c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1 ZINC001171274844 1000640602 /nfs/dbraw/zinc/64/06/02/1000640602.db2.gz HWZMKBZCUBLLAL-UHFFFAOYSA-N 2 2 373.464 2.941 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@]2(C)C1 ZINC001091670267 1001007818 /nfs/dbraw/zinc/00/78/18/1001007818.db2.gz DWLHBWVQIHMDSQ-APWZRJJASA-N 2 2 358.873 2.789 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c(C)c[nH+]c4c3)C[C@]2(C)C1 ZINC001091670267 1001007825 /nfs/dbraw/zinc/00/78/25/1001007825.db2.gz DWLHBWVQIHMDSQ-APWZRJJASA-N 2 2 358.873 2.789 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086608872 1003168541 /nfs/dbraw/zinc/16/85/41/1003168541.db2.gz FAADQLCPNPZYQF-WSTZPKSXSA-N 2 2 364.493 2.990 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086608872 1003168548 /nfs/dbraw/zinc/16/85/48/1003168548.db2.gz FAADQLCPNPZYQF-WSTZPKSXSA-N 2 2 364.493 2.990 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001097066141 1016970576 /nfs/dbraw/zinc/97/05/76/1016970576.db2.gz OJSDHPQQGRGRST-DQEVTTJGSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001097066141 1016970591 /nfs/dbraw/zinc/97/05/91/1016970591.db2.gz OJSDHPQQGRGRST-DQEVTTJGSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097066141 1016970607 /nfs/dbraw/zinc/97/06/07/1016970607.db2.gz OJSDHPQQGRGRST-DQEVTTJGSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097066141 1016970619 /nfs/dbraw/zinc/97/06/19/1016970619.db2.gz OJSDHPQQGRGRST-DQEVTTJGSA-N 2 2 372.538 2.714 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094453040 1011142507 /nfs/dbraw/zinc/14/25/07/1011142507.db2.gz JQBIZVAHUKSCNC-DBXWQHBBSA-N 2 2 356.514 2.773 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001094453040 1011142509 /nfs/dbraw/zinc/14/25/09/1011142509.db2.gz JQBIZVAHUKSCNC-DBXWQHBBSA-N 2 2 356.514 2.773 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC([N@H+](CC[NH3+])Cc3ccccc3)CC2)cc1 ZINC001173422338 1012568534 /nfs/dbraw/zinc/56/85/34/1012568534.db2.gz NLXPVJVHDOUHAN-UHFFFAOYSA-N 2 2 362.477 2.624 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC([N@@H+](CC[NH3+])Cc3ccccc3)CC2)cc1 ZINC001173422338 1012568545 /nfs/dbraw/zinc/56/85/45/1012568545.db2.gz NLXPVJVHDOUHAN-UHFFFAOYSA-N 2 2 362.477 2.624 20 30 FFEDLP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001097638865 1017739960 /nfs/dbraw/zinc/73/99/60/1017739960.db2.gz IUDSQEBQKMTEEW-OLMNPRSZSA-N 2 2 372.538 2.716 20 30 FFEDLP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001097638865 1017739977 /nfs/dbraw/zinc/73/99/77/1017739977.db2.gz IUDSQEBQKMTEEW-OLMNPRSZSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000925654914 1017810590 /nfs/dbraw/zinc/81/05/90/1017810590.db2.gz SIRJNIPFBLIJOP-SFHVURJKSA-N 2 2 354.454 2.840 20 30 FFEDLP CN(C(=O)C#Cc1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827685476 1018611529 /nfs/dbraw/zinc/61/15/29/1018611529.db2.gz NKISKQCRPXKYPK-WOJBJXKFSA-N 2 2 373.566 2.895 20 30 FFEDLP CN(C(=O)C#Cc1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827685476 1018611532 /nfs/dbraw/zinc/61/15/32/1018611532.db2.gz NKISKQCRPXKYPK-WOJBJXKFSA-N 2 2 373.566 2.895 20 30 FFEDLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(C#N)c1 ZINC000902988519 1020613447 /nfs/dbraw/zinc/61/34/47/1020613447.db2.gz VQVRPXAXYURLNA-NXEWRWPSSA-N 2 2 354.498 2.683 20 30 FFEDLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(C#N)c1 ZINC000902988519 1020613448 /nfs/dbraw/zinc/61/34/48/1020613448.db2.gz VQVRPXAXYURLNA-NXEWRWPSSA-N 2 2 354.498 2.683 20 30 FFEDLP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001039281596 1022738226 /nfs/dbraw/zinc/73/82/26/1022738226.db2.gz SPOATUAJSGEFPR-DZJYIKFMSA-N 2 2 368.525 2.842 20 30 FFEDLP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218541618 1033209329 /nfs/dbraw/zinc/20/93/29/1033209329.db2.gz MVNRHNBKSUWVFM-ZDUSSCGKSA-N 2 2 355.398 2.657 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595985 1026388126 /nfs/dbraw/zinc/38/81/26/1026388126.db2.gz IHGPWVRAVDGPDU-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595985 1026388135 /nfs/dbraw/zinc/38/81/35/1026388135.db2.gz IHGPWVRAVDGPDU-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595985 1026388149 /nfs/dbraw/zinc/38/81/49/1026388149.db2.gz IHGPWVRAVDGPDU-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCc3sccc3C2)[C@H](C)C1 ZINC001102595985 1026388157 /nfs/dbraw/zinc/38/81/57/1026388157.db2.gz IHGPWVRAVDGPDU-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001205002058 1031483932 /nfs/dbraw/zinc/48/39/32/1031483932.db2.gz YKQHQWHKICNOPK-CTNGQTDRSA-N 2 2 357.498 2.667 20 30 FFEDLP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001205002058 1031483940 /nfs/dbraw/zinc/48/39/40/1031483940.db2.gz YKQHQWHKICNOPK-CTNGQTDRSA-N 2 2 357.498 2.667 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H](CC)c3ccc(F)cc3)CC2)CC1 ZINC000831872407 1034367246 /nfs/dbraw/zinc/36/72/46/1034367246.db2.gz DRBHLYLVKPPJCL-OAQYLSRUSA-N 2 2 371.500 2.766 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC001226680264 1034786296 /nfs/dbraw/zinc/78/62/96/1034786296.db2.gz ULPZXZKDLPEFFI-RTBURBONSA-N 2 2 369.444 2.570 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC001226680264 1034786312 /nfs/dbraw/zinc/78/63/12/1034786312.db2.gz ULPZXZKDLPEFFI-RTBURBONSA-N 2 2 369.444 2.570 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001221558393 1034874846 /nfs/dbraw/zinc/87/48/46/1034874846.db2.gz FYADCRJRHRUXMY-UAFMIMERSA-N 2 2 368.525 2.653 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001221558393 1034874855 /nfs/dbraw/zinc/87/48/55/1034874855.db2.gz FYADCRJRHRUXMY-UAFMIMERSA-N 2 2 368.525 2.653 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001221655916 1034953599 /nfs/dbraw/zinc/95/35/99/1034953599.db2.gz BVBNDJOYSWGBRQ-GUDVDZBRSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001221655916 1034953603 /nfs/dbraw/zinc/95/36/03/1034953603.db2.gz BVBNDJOYSWGBRQ-GUDVDZBRSA-N 2 2 356.514 2.725 20 30 FFEDLP N#Cc1cccc2c(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001139701734 1035202092 /nfs/dbraw/zinc/20/20/92/1035202092.db2.gz PSCWUSIYULKKSK-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1cccc2c(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001139701734 1035202098 /nfs/dbraw/zinc/20/20/98/1035202098.db2.gz PSCWUSIYULKKSK-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1cccc2c(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001139701734 1035202106 /nfs/dbraw/zinc/20/21/06/1035202106.db2.gz PSCWUSIYULKKSK-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1cccc2c(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001139701734 1035202110 /nfs/dbraw/zinc/20/21/10/1035202110.db2.gz PSCWUSIYULKKSK-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(C#N)c4Cl)C[C@@H]3C2)cn1 ZINC001140812125 1036210199 /nfs/dbraw/zinc/21/01/99/1036210199.db2.gz MTPUEWRGHUBCHM-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(C#N)c4Cl)C[C@@H]3C2)cn1 ZINC001140812125 1036210214 /nfs/dbraw/zinc/21/02/14/1036210214.db2.gz MTPUEWRGHUBCHM-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(C#N)c4Cl)C[C@@H]3C2)cn1 ZINC001140812125 1036210227 /nfs/dbraw/zinc/21/02/27/1036210227.db2.gz MTPUEWRGHUBCHM-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(C#N)c4Cl)C[C@@H]3C2)cn1 ZINC001140812125 1036210241 /nfs/dbraw/zinc/21/02/41/1036210241.db2.gz MTPUEWRGHUBCHM-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cc1c[nH]c(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cc(C#N)n(C)c4)(C2)CCC3)n1 ZINC001279039665 1038949087 /nfs/dbraw/zinc/94/90/87/1038949087.db2.gz DGHHGMPYWHJKDZ-UXHICEINSA-N 2 2 352.486 2.653 20 30 FFEDLP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246142187 1039255853 /nfs/dbraw/zinc/25/58/53/1039255853.db2.gz IGRIRUOKGLPQPW-KBWCOIMZSA-N 3 2 352.526 2.854 20 30 FFEDLP N#C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CCN1 ZINC001246431877 1039353145 /nfs/dbraw/zinc/35/31/45/1039353145.db2.gz WEAJTXAJDYFXST-CVEARBPZSA-N 2 2 352.404 2.518 20 30 FFEDLP N#C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CCN1 ZINC001246448984 1039359457 /nfs/dbraw/zinc/35/94/57/1039359457.db2.gz HLUNHNMZWKDUOB-KGLIPLIRSA-N 2 2 352.404 2.518 20 30 FFEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001253394481 1040149752 /nfs/dbraw/zinc/14/97/52/1040149752.db2.gz MOMUUBFAMVVLSW-OAHLLOKOSA-N 2 2 365.905 2.804 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](OC)C1 ZINC001213423360 1040541578 /nfs/dbraw/zinc/54/15/78/1040541578.db2.gz UBQHELOHIJJKSF-KBAYOESNSA-N 2 2 362.518 2.615 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](OC)C1 ZINC001213423360 1040541597 /nfs/dbraw/zinc/54/15/97/1040541597.db2.gz UBQHELOHIJJKSF-KBAYOESNSA-N 2 2 362.518 2.615 20 30 FFEDLP CC[C@@H](CC#N)[NH+]1CCC2(CN(C(=O)C[NH+](C)C)c3ccc(C)cc32)CC1 ZINC001255169308 1041180872 /nfs/dbraw/zinc/18/08/72/1041180872.db2.gz DFCSKELNPSJLOV-SFHVURJKSA-N 2 2 368.525 2.929 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001262948835 1041983221 /nfs/dbraw/zinc/98/32/21/1041983221.db2.gz ZEYNTRLYRQCFAX-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001262948835 1041983226 /nfs/dbraw/zinc/98/32/26/1041983226.db2.gz ZEYNTRLYRQCFAX-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001262948835 1041983230 /nfs/dbraw/zinc/98/32/30/1041983230.db2.gz ZEYNTRLYRQCFAX-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001262948835 1041983233 /nfs/dbraw/zinc/98/32/33/1041983233.db2.gz ZEYNTRLYRQCFAX-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001262980623 1042007021 /nfs/dbraw/zinc/00/70/21/1042007021.db2.gz OSJWJPAMNRUEJM-QZTJIDSGSA-N 2 2 371.533 2.827 20 30 FFEDLP C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001262980623 1042007026 /nfs/dbraw/zinc/00/70/26/1042007026.db2.gz OSJWJPAMNRUEJM-QZTJIDSGSA-N 2 2 371.533 2.827 20 30 FFEDLP N#Cc1ccc2nc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)cn2c1 ZINC001237604859 1043264199 /nfs/dbraw/zinc/26/41/99/1043264199.db2.gz BQCZXOBNOQQANI-UXHICEINSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1ccc2nc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)cn2c1 ZINC001237604859 1043264211 /nfs/dbraw/zinc/26/42/11/1043264211.db2.gz BQCZXOBNOQQANI-UXHICEINSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1ccc2nc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)cn2c1 ZINC001237604859 1043264222 /nfs/dbraw/zinc/26/42/22/1043264222.db2.gz BQCZXOBNOQQANI-UXHICEINSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1ccc2nc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)cn2c1 ZINC001237604859 1043264229 /nfs/dbraw/zinc/26/42/29/1043264229.db2.gz BQCZXOBNOQQANI-UXHICEINSA-N 2 2 372.476 2.555 20 30 FFEDLP CCOC(C)(C)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278212199 1043636832 /nfs/dbraw/zinc/63/68/32/1043636832.db2.gz VJMLVQXYSSLUAK-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP CCOC(C)(C)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278212199 1043636839 /nfs/dbraw/zinc/63/68/39/1043636839.db2.gz VJMLVQXYSSLUAK-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP CCOC(C)(C)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278212199 1043636847 /nfs/dbraw/zinc/63/68/47/1043636847.db2.gz VJMLVQXYSSLUAK-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP CCOC(C)(C)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278212199 1043636855 /nfs/dbraw/zinc/63/68/55/1043636855.db2.gz VJMLVQXYSSLUAK-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001539432322 1070636645 /nfs/dbraw/zinc/63/66/45/1070636645.db2.gz ZXUQNGSFNVYGCP-MOPGFXCFSA-N 2 2 374.577 2.523 20 30 FFEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCCCOc3ccccc3)cc2F)CC1 ZINC001322482903 1046102076 /nfs/dbraw/zinc/10/20/76/1046102076.db2.gz MQCDWUNYYFGRCD-UHFFFAOYSA-N 2 2 370.472 2.970 20 30 FFEDLP C[C@H]1CCCN(C(=O)CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001330082351 1049032989 /nfs/dbraw/zinc/03/29/89/1049032989.db2.gz XLJKHXPFQXARKQ-SFHVURJKSA-N 2 2 368.525 2.761 20 30 FFEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001303557391 1051386912 /nfs/dbraw/zinc/38/69/12/1051386912.db2.gz CZNAWXNCVMMWSZ-SIKLNZKXSA-N 2 2 367.537 2.543 20 30 FFEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001303557391 1051386925 /nfs/dbraw/zinc/38/69/25/1051386925.db2.gz CZNAWXNCVMMWSZ-SIKLNZKXSA-N 2 2 367.537 2.543 20 30 FFEDLP C=CCn1c([C@H]2C[C@@H]2C)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001339580409 1056605846 /nfs/dbraw/zinc/60/58/46/1056605846.db2.gz GKJNVCNEHNRQSO-HKUYNNGSSA-N 2 2 372.561 2.584 20 30 FFEDLP C=CCn1c([C@H]2C[C@@H]2C)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001339580409 1056605851 /nfs/dbraw/zinc/60/58/51/1056605851.db2.gz GKJNVCNEHNRQSO-HKUYNNGSSA-N 2 2 372.561 2.584 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001515998850 1059923673 /nfs/dbraw/zinc/92/36/73/1059923673.db2.gz SZMBGPSXJYIXLS-LJQANCHMSA-N 2 2 372.561 2.905 20 30 FFEDLP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1CC ZINC001569801978 1077167745 /nfs/dbraw/zinc/16/77/45/1077167745.db2.gz LTAOAMMUEBVCAY-QWFCFKBJSA-N 2 2 350.466 2.546 20 30 FFEDLP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1CC ZINC001569801978 1077167747 /nfs/dbraw/zinc/16/77/47/1077167747.db2.gz LTAOAMMUEBVCAY-QWFCFKBJSA-N 2 2 350.466 2.546 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)CCOc3ccccc3C#N)CCC[NH+]2C)cn1 ZINC000328650647 529927379 /nfs/dbraw/zinc/92/73/79/529927379.db2.gz VPLKMJLKKMAJMV-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCOc3ccccc3C#N)CCC[NH+]2C)cn1 ZINC000328650647 529927380 /nfs/dbraw/zinc/92/73/80/529927380.db2.gz VPLKMJLKKMAJMV-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CCOc3ccccc3C#N)CCC[N@@H+]2C)cn1 ZINC000328650647 529927381 /nfs/dbraw/zinc/92/73/81/529927381.db2.gz VPLKMJLKKMAJMV-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CCOc3ccccc3C#N)CCC[N@H+]2C)cn1 ZINC000328650647 529927382 /nfs/dbraw/zinc/92/73/82/529927382.db2.gz VPLKMJLKKMAJMV-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597480 508416220 /nfs/dbraw/zinc/41/62/20/508416220.db2.gz CQQVYPAVNPPKRK-FQEVSTJZSA-N 2 2 350.466 2.716 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000158775113 508751109 /nfs/dbraw/zinc/75/11/09/508751109.db2.gz YBRNIJYILWHHLF-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000158775113 508751115 /nfs/dbraw/zinc/75/11/15/508751115.db2.gz YBRNIJYILWHHLF-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158775113 508751118 /nfs/dbraw/zinc/75/11/18/508751118.db2.gz YBRNIJYILWHHLF-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000158775113 508751122 /nfs/dbraw/zinc/75/11/22/508751122.db2.gz YBRNIJYILWHHLF-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccc(C#N)s2)CC1)Cc1ccccc1 ZINC000119367305 508781601 /nfs/dbraw/zinc/78/16/01/508781601.db2.gz WYXHJRASGVZOSR-UHFFFAOYSA-N 2 2 354.523 2.869 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccc(C#N)s2)CC1)Cc1ccccc1 ZINC000119367305 508781603 /nfs/dbraw/zinc/78/16/03/508781603.db2.gz WYXHJRASGVZOSR-UHFFFAOYSA-N 2 2 354.523 2.869 20 30 FFEDLP C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C[NH+]1CCOCC1 ZINC000120365859 508982011 /nfs/dbraw/zinc/98/20/11/508982011.db2.gz IZMGSQHJNHTUNO-GOSISDBHSA-N 2 2 367.497 2.522 20 30 FFEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000371494687 512432151 /nfs/dbraw/zinc/43/21/51/512432151.db2.gz GOEVHTMYDBYSCB-NRFANRHFSA-N 2 2 368.525 2.618 20 30 FFEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000371494687 512432157 /nfs/dbraw/zinc/43/21/57/512432157.db2.gz GOEVHTMYDBYSCB-NRFANRHFSA-N 2 2 368.525 2.618 20 30 FFEDLP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 ZINC000248726761 509453569 /nfs/dbraw/zinc/45/35/69/509453569.db2.gz IHMPOIBGRKQUCA-FFZOFVMBSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 ZINC000248726761 509453578 /nfs/dbraw/zinc/45/35/78/509453578.db2.gz IHMPOIBGRKQUCA-FFZOFVMBSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 ZINC000248726761 509453589 /nfs/dbraw/zinc/45/35/89/509453589.db2.gz IHMPOIBGRKQUCA-FFZOFVMBSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 ZINC000248726761 509453595 /nfs/dbraw/zinc/45/35/95/509453595.db2.gz IHMPOIBGRKQUCA-FFZOFVMBSA-N 2 2 354.498 2.716 20 30 FFEDLP C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261980165 510135146 /nfs/dbraw/zinc/13/51/46/510135146.db2.gz OSAPSDMROZZOGB-CGTJXYLNSA-N 2 2 374.558 2.706 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000171555515 510224545 /nfs/dbraw/zinc/22/45/45/510224545.db2.gz PXJMLCVCSMNCCZ-UHFFFAOYSA-N 2 2 367.497 2.771 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181061516 510264326 /nfs/dbraw/zinc/26/43/26/510264326.db2.gz YXASNZDYJRQAMN-CYBMUJFWSA-N 2 2 357.483 2.654 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181061516 510264337 /nfs/dbraw/zinc/26/43/37/510264337.db2.gz YXASNZDYJRQAMN-CYBMUJFWSA-N 2 2 357.483 2.654 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CCCn2cc[nH+]c2)c1C ZINC000181091954 510274069 /nfs/dbraw/zinc/27/40/69/510274069.db2.gz OENPPJZGDSPLQN-UHFFFAOYSA-N 2 2 353.470 2.769 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c1C ZINC000181091954 510274075 /nfs/dbraw/zinc/27/40/75/510274075.db2.gz OENPPJZGDSPLQN-UHFFFAOYSA-N 2 2 353.470 2.769 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC(=O)NC3CCCCC3)CC2)cc1 ZINC000181546414 510466098 /nfs/dbraw/zinc/46/60/98/510466098.db2.gz VDBSBMMCZLEXSL-UHFFFAOYSA-N 2 2 368.525 2.951 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000270127662 510685692 /nfs/dbraw/zinc/68/56/92/510685692.db2.gz GQKOURGBCBAIAP-DYESRHJHSA-N 2 2 367.497 2.864 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000270127662 510685698 /nfs/dbraw/zinc/68/56/98/510685698.db2.gz GQKOURGBCBAIAP-DYESRHJHSA-N 2 2 367.497 2.864 20 30 FFEDLP CC(C)(C)N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000181999054 510700506 /nfs/dbraw/zinc/70/05/06/510700506.db2.gz JFKDNBPNIFTNFF-IBGZPJMESA-N 2 2 354.498 2.512 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000247555808 510865511 /nfs/dbraw/zinc/86/55/11/510865511.db2.gz FNFZRZPLYMMMGS-SJORKVTESA-N 2 2 357.502 2.814 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000247555808 510865512 /nfs/dbraw/zinc/86/55/12/510865512.db2.gz FNFZRZPLYMMMGS-SJORKVTESA-N 2 2 357.502 2.814 20 30 FFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1C ZINC000278837574 511008942 /nfs/dbraw/zinc/00/89/42/511008942.db2.gz APOGKRAXAGBPDM-LPHOPBHVSA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1C ZINC000278837574 511008944 /nfs/dbraw/zinc/00/89/44/511008944.db2.gz APOGKRAXAGBPDM-LPHOPBHVSA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[NH+]1C ZINC000278837574 511008948 /nfs/dbraw/zinc/00/89/48/511008948.db2.gz APOGKRAXAGBPDM-LPHOPBHVSA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[NH+]1C ZINC000278837574 511008950 /nfs/dbraw/zinc/00/89/50/511008950.db2.gz APOGKRAXAGBPDM-LPHOPBHVSA-N 2 2 352.486 2.773 20 30 FFEDLP N#CCCn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccncc2)n1 ZINC000279394891 511067804 /nfs/dbraw/zinc/06/78/04/511067804.db2.gz LUZORKGYUCSPPJ-QGZVFWFLSA-N 2 2 361.453 2.961 20 30 FFEDLP N#CCCn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccncc2)n1 ZINC000279394891 511067808 /nfs/dbraw/zinc/06/78/08/511067808.db2.gz LUZORKGYUCSPPJ-QGZVFWFLSA-N 2 2 361.453 2.961 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(C#N)c(OC)c3)CC2)CC1 ZINC000421376469 513242167 /nfs/dbraw/zinc/24/21/67/513242167.db2.gz QKVGVZVCAOZYMQ-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(C#N)c(OC)c3)CC2)CC1 ZINC000421376469 513242173 /nfs/dbraw/zinc/24/21/73/513242173.db2.gz QKVGVZVCAOZYMQ-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425265938 513482613 /nfs/dbraw/zinc/48/26/13/513482613.db2.gz GFQRCLSTGVNGRW-UHFFFAOYSA-N 2 2 363.465 2.719 20 30 FFEDLP COc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1C#N ZINC000442887128 513803822 /nfs/dbraw/zinc/80/38/22/513803822.db2.gz WYRRGJPDWUATID-HDICACEKSA-N 2 2 356.514 2.557 20 30 FFEDLP COc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1C#N ZINC000442887128 513803829 /nfs/dbraw/zinc/80/38/29/513803829.db2.gz WYRRGJPDWUATID-HDICACEKSA-N 2 2 356.514 2.557 20 30 FFEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C#N)c(C)c3)C2)CC1 ZINC000449491814 514228333 /nfs/dbraw/zinc/22/83/33/514228333.db2.gz AOBJFTSOHCTNRL-NRFANRHFSA-N 2 2 368.525 2.633 20 30 FFEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C#N)c(C)c3)C2)CC1 ZINC000449491814 514228339 /nfs/dbraw/zinc/22/83/39/514228339.db2.gz AOBJFTSOHCTNRL-NRFANRHFSA-N 2 2 368.525 2.633 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(C)c3)C2)CC1 ZINC000449491814 514228342 /nfs/dbraw/zinc/22/83/42/514228342.db2.gz AOBJFTSOHCTNRL-NRFANRHFSA-N 2 2 368.525 2.633 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)CC1 ZINC000449491814 514228348 /nfs/dbraw/zinc/22/83/48/514228348.db2.gz AOBJFTSOHCTNRL-NRFANRHFSA-N 2 2 368.525 2.633 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196843 515241441 /nfs/dbraw/zinc/24/14/41/515241441.db2.gz XZORPVVPTITEGZ-HBGVWJBISA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000481196843 515241450 /nfs/dbraw/zinc/24/14/50/515241450.db2.gz XZORPVVPTITEGZ-HBGVWJBISA-N 2 2 362.477 2.585 20 30 FFEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469581750 515878625 /nfs/dbraw/zinc/87/86/25/515878625.db2.gz AIFNGALSNPGNMF-QGZVFWFLSA-N 2 2 369.513 2.571 20 30 FFEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469581750 515878633 /nfs/dbraw/zinc/87/86/33/515878633.db2.gz AIFNGALSNPGNMF-QGZVFWFLSA-N 2 2 369.513 2.571 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)C(C)C ZINC000469838493 515991196 /nfs/dbraw/zinc/99/11/96/515991196.db2.gz MIKHBEQFLCJTIV-PMACEKPBSA-N 2 2 372.513 2.943 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512254561 516212078 /nfs/dbraw/zinc/21/20/78/516212078.db2.gz XAZMEVVEHINZDS-SIKLNZKXSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512254561 516212085 /nfs/dbraw/zinc/21/20/85/516212085.db2.gz XAZMEVVEHINZDS-SIKLNZKXSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512254561 516212092 /nfs/dbraw/zinc/21/20/92/516212092.db2.gz XAZMEVVEHINZDS-SIKLNZKXSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512254561 516212101 /nfs/dbraw/zinc/21/21/01/516212101.db2.gz XAZMEVVEHINZDS-SIKLNZKXSA-N 2 2 368.525 2.593 20 30 FFEDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1F ZINC000512670672 516319913 /nfs/dbraw/zinc/31/99/13/516319913.db2.gz AVDTZQVZERTCAX-QGZVFWFLSA-N 3 2 367.472 2.955 20 30 FFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000544347093 516714597 /nfs/dbraw/zinc/71/45/97/516714597.db2.gz FIOSUGOYXLJTID-JOCHJYFZSA-N 2 2 372.476 2.958 20 30 FFEDLP N#CCCN(C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)c1ccccc1 ZINC000536372432 516740118 /nfs/dbraw/zinc/74/01/18/516740118.db2.gz VGBQBAYZEZLIPU-UHFFFAOYSA-N 2 2 363.465 2.905 20 30 FFEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(CC#N)CC2)CC1 ZINC000541023565 516833892 /nfs/dbraw/zinc/83/38/92/516833892.db2.gz BPMJUXPOJKKVQG-GOSISDBHSA-N 2 2 354.498 2.517 20 30 FFEDLP CCn1cc[nH+]c1CN(C(=O)c1cccc(C#N)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000518993962 516846735 /nfs/dbraw/zinc/84/67/35/516846735.db2.gz VXIVZOMBBCALMS-SFHVURJKSA-N 2 2 363.465 2.559 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000556836400 517693396 /nfs/dbraw/zinc/69/33/96/517693396.db2.gz LUWGOYYTRUCUPH-WIYYLYMNSA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000556836400 517693403 /nfs/dbraw/zinc/69/34/03/517693403.db2.gz LUWGOYYTRUCUPH-WIYYLYMNSA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000556836400 517693413 /nfs/dbraw/zinc/69/34/13/517693413.db2.gz LUWGOYYTRUCUPH-WIYYLYMNSA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556836400 517693424 /nfs/dbraw/zinc/69/34/24/517693424.db2.gz LUWGOYYTRUCUPH-WIYYLYMNSA-N 2 2 366.509 2.535 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000530902314 518042036 /nfs/dbraw/zinc/04/20/36/518042036.db2.gz CKGVQZOHCPBLCF-PKOBYXMFSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000530902314 518042048 /nfs/dbraw/zinc/04/20/48/518042048.db2.gz CKGVQZOHCPBLCF-PKOBYXMFSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000530902314 518042055 /nfs/dbraw/zinc/04/20/55/518042055.db2.gz CKGVQZOHCPBLCF-PKOBYXMFSA-N 2 2 372.513 2.746 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000530902314 518042064 /nfs/dbraw/zinc/04/20/64/518042064.db2.gz CKGVQZOHCPBLCF-PKOBYXMFSA-N 2 2 372.513 2.746 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579650482 518782603 /nfs/dbraw/zinc/78/26/03/518782603.db2.gz CJRKEUUOARWSPR-NHCUHLMSSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579650482 518782606 /nfs/dbraw/zinc/78/26/06/518782606.db2.gz CJRKEUUOARWSPR-NHCUHLMSSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579650482 518782607 /nfs/dbraw/zinc/78/26/07/518782607.db2.gz CJRKEUUOARWSPR-NHCUHLMSSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579650482 518782608 /nfs/dbraw/zinc/78/26/08/518782608.db2.gz CJRKEUUOARWSPR-NHCUHLMSSA-N 2 2 355.526 2.865 20 30 FFEDLP N#Cc1ccccc1OC1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000577856994 519291975 /nfs/dbraw/zinc/29/19/75/519291975.db2.gz WWCFYHRZZKNIHM-OWQMCBFZSA-N 2 2 355.482 2.605 20 30 FFEDLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594438193 519963348 /nfs/dbraw/zinc/96/33/48/519963348.db2.gz HQFYGSSLDWLDAL-GOSISDBHSA-N 2 2 357.502 2.558 20 30 FFEDLP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000602956461 519992440 /nfs/dbraw/zinc/99/24/40/519992440.db2.gz QPTJIUNIDSLVSX-HXUWFJFHSA-N 2 2 371.525 2.833 20 30 FFEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCC1 ZINC000600737796 520437328 /nfs/dbraw/zinc/43/73/28/520437328.db2.gz FNSRQWKLQXWZCI-FQEVSTJZSA-N 2 2 371.525 2.702 20 30 FFEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCC1 ZINC000600737796 520437337 /nfs/dbraw/zinc/43/73/37/520437337.db2.gz FNSRQWKLQXWZCI-FQEVSTJZSA-N 2 2 371.525 2.702 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610944875 520913477 /nfs/dbraw/zinc/91/34/77/520913477.db2.gz GDJVXUNVLKPDBI-ZIAGYGMSSA-N 2 2 369.494 2.969 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610944875 520913482 /nfs/dbraw/zinc/91/34/82/520913482.db2.gz GDJVXUNVLKPDBI-ZIAGYGMSSA-N 2 2 369.494 2.969 20 30 FFEDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599372788 521182482 /nfs/dbraw/zinc/18/24/82/521182482.db2.gz MHOAVUXBMWFRIJ-LEWJYISDSA-N 2 2 373.541 2.804 20 30 FFEDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599372788 521182490 /nfs/dbraw/zinc/18/24/90/521182490.db2.gz MHOAVUXBMWFRIJ-LEWJYISDSA-N 2 2 373.541 2.804 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619056325 521374171 /nfs/dbraw/zinc/37/41/71/521374171.db2.gz VEKRUWZRVNQFTF-IIBYNOLFSA-N 2 2 371.529 2.842 20 30 FFEDLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602690464 521481082 /nfs/dbraw/zinc/48/10/82/521481082.db2.gz NFUVITTYZNBHPV-WIYYLYMNSA-N 2 2 350.466 2.580 20 30 FFEDLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602690464 521481088 /nfs/dbraw/zinc/48/10/88/521481088.db2.gz NFUVITTYZNBHPV-WIYYLYMNSA-N 2 2 350.466 2.580 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]ccc5ccc(C#N)cc54)C[C@@H]3C2)cn1 ZINC001164769929 721112158 /nfs/dbraw/zinc/11/21/58/721112158.db2.gz QHKWYBPTYMIMGD-UXHICEINSA-N 2 2 372.476 2.798 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]ccc5ccc(C#N)cc54)C[C@@H]3C2)cn1 ZINC001164769929 721112161 /nfs/dbraw/zinc/11/21/61/721112161.db2.gz QHKWYBPTYMIMGD-UXHICEINSA-N 2 2 372.476 2.798 20 30 FFEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC(=S)Nc3ccccc3)cc2)CC1 ZINC000771555754 737735226 /nfs/dbraw/zinc/73/52/26/737735226.db2.gz PUINSSIQAWDYLE-UHFFFAOYSA-N 2 2 353.495 2.759 20 30 FFEDLP C=C(Cl)C[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cccc2C1 ZINC001051291120 743563911 /nfs/dbraw/zinc/56/39/11/743563911.db2.gz KUCWEUCJRQXHOD-CRAIPNDOSA-N 2 2 361.917 2.754 20 30 FFEDLP C=C(Cl)C[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)cccc2C1 ZINC001051291120 743563917 /nfs/dbraw/zinc/56/39/17/743563917.db2.gz KUCWEUCJRQXHOD-CRAIPNDOSA-N 2 2 361.917 2.754 20 30 FFEDLP C=C(Cl)C[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291120 743563920 /nfs/dbraw/zinc/56/39/20/743563920.db2.gz KUCWEUCJRQXHOD-CRAIPNDOSA-N 2 2 361.917 2.754 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)cccc2C1 ZINC001051291120 743563922 /nfs/dbraw/zinc/56/39/22/743563922.db2.gz KUCWEUCJRQXHOD-CRAIPNDOSA-N 2 2 361.917 2.754 20 30 FFEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000834759436 745895407 /nfs/dbraw/zinc/89/54/07/745895407.db2.gz CAOQMYIJAHQIAW-VAMGGRTRSA-N 2 2 362.539 2.620 20 30 FFEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000834759436 745895409 /nfs/dbraw/zinc/89/54/09/745895409.db2.gz CAOQMYIJAHQIAW-VAMGGRTRSA-N 2 2 362.539 2.620 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001104366953 964295913 /nfs/dbraw/zinc/29/59/13/964295913.db2.gz ATOJVSOVONGRGP-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001104366953 964295921 /nfs/dbraw/zinc/29/59/21/964295921.db2.gz ATOJVSOVONGRGP-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP CC(C)C[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])[NH+](C)C ZINC000121463640 964411923 /nfs/dbraw/zinc/41/19/23/964411923.db2.gz PPKIDWVTSBOMJD-HNNXBMFYSA-N 2 2 369.513 2.622 20 30 FFEDLP CC[NH+]=C(NCC[NH+]1CCCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261956226 964996746 /nfs/dbraw/zinc/99/67/46/964996746.db2.gz IVHVGVIRAGEMLU-OALUTQOASA-N 3 2 360.550 2.608 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001087469813 965305815 /nfs/dbraw/zinc/30/58/15/965305815.db2.gz YTNMNOVVRZWHPU-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001087469813 965305829 /nfs/dbraw/zinc/30/58/29/965305829.db2.gz YTNMNOVVRZWHPU-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001087469813 965305840 /nfs/dbraw/zinc/30/58/40/965305840.db2.gz YTNMNOVVRZWHPU-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001087469813 965305849 /nfs/dbraw/zinc/30/58/49/965305849.db2.gz YTNMNOVVRZWHPU-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)cc1 ZINC001270757961 965875990 /nfs/dbraw/zinc/87/59/90/965875990.db2.gz XHLJCSHGRDGHLW-QZTJIDSGSA-N 2 2 363.465 2.604 20 30 FFEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)cc1 ZINC001270757961 965875991 /nfs/dbraw/zinc/87/59/91/965875991.db2.gz XHLJCSHGRDGHLW-QZTJIDSGSA-N 2 2 363.465 2.604 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001104452515 967326884 /nfs/dbraw/zinc/32/68/84/967326884.db2.gz NCIOCVRNTYRGCB-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001104452515 967326892 /nfs/dbraw/zinc/32/68/92/967326892.db2.gz NCIOCVRNTYRGCB-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1CC ZINC001087607356 968343722 /nfs/dbraw/zinc/34/37/22/968343722.db2.gz ZOFRBFZHAZRVBN-HBMCJLEFSA-N 2 2 357.542 2.944 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)[C@@H]1CC ZINC001087607356 968343728 /nfs/dbraw/zinc/34/37/28/968343728.db2.gz ZOFRBFZHAZRVBN-HBMCJLEFSA-N 2 2 357.542 2.944 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1CC ZINC001087607356 968343738 /nfs/dbraw/zinc/34/37/38/968343738.db2.gz ZOFRBFZHAZRVBN-HBMCJLEFSA-N 2 2 357.542 2.944 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H]1CC ZINC001087607356 968343746 /nfs/dbraw/zinc/34/37/46/968343746.db2.gz ZOFRBFZHAZRVBN-HBMCJLEFSA-N 2 2 357.542 2.944 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1CC ZINC001087653356 968518872 /nfs/dbraw/zinc/51/88/72/968518872.db2.gz RZBRHVPOYUEHHB-DOTOQJQBSA-N 2 2 359.861 2.603 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1CC ZINC001087653356 968518876 /nfs/dbraw/zinc/51/88/76/968518876.db2.gz RZBRHVPOYUEHHB-DOTOQJQBSA-N 2 2 359.861 2.603 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1Cc1ccccc1C#N ZINC001087840733 970531695 /nfs/dbraw/zinc/53/16/95/970531695.db2.gz LBHMKTFLSKFIHB-PWRODBHTSA-N 2 2 368.525 2.902 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@H+]1Cc1ccccc1C#N ZINC001087840733 970531704 /nfs/dbraw/zinc/53/17/04/970531704.db2.gz LBHMKTFLSKFIHB-PWRODBHTSA-N 2 2 368.525 2.902 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC[NH+]1Cc1ccccc1C#N ZINC001087840733 970531714 /nfs/dbraw/zinc/53/17/14/970531714.db2.gz LBHMKTFLSKFIHB-PWRODBHTSA-N 2 2 368.525 2.902 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC[NH+]1Cc1ccccc1C#N ZINC001087840733 970531724 /nfs/dbraw/zinc/53/17/24/970531724.db2.gz LBHMKTFLSKFIHB-PWRODBHTSA-N 2 2 368.525 2.902 20 30 FFEDLP C=CCC1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCC1 ZINC000661851470 974868752 /nfs/dbraw/zinc/86/87/52/974868752.db2.gz RXLUCYTYWDLVNH-UHFFFAOYSA-N 2 2 357.498 2.936 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@]3(C#N)CC4CCC3CC4)CC2)CC1 ZINC000911191030 982163056 /nfs/dbraw/zinc/16/30/56/982163056.db2.gz VVWXFPCNVUDNJZ-AJTFCVKESA-N 2 2 372.557 2.725 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@]3(C#N)CC4CCC3CC4)CC2)CC1 ZINC000911191030 982163064 /nfs/dbraw/zinc/16/30/64/982163064.db2.gz VVWXFPCNVUDNJZ-AJTFCVKESA-N 2 2 372.557 2.725 20 30 FFEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCc4sccc4C3)CCC[C@@H]12 ZINC001107641881 984923056 /nfs/dbraw/zinc/92/30/56/984923056.db2.gz GCIYBWLBJIPUCW-UYAOXDASSA-N 2 2 359.539 2.653 20 30 FFEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCc4sccc4C3)CCC[C@@H]12 ZINC001107641881 984923062 /nfs/dbraw/zinc/92/30/62/984923062.db2.gz GCIYBWLBJIPUCW-UYAOXDASSA-N 2 2 359.539 2.653 20 30 FFEDLP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCc4sccc4C3)CCC[C@@H]12 ZINC001107641881 984923068 /nfs/dbraw/zinc/92/30/68/984923068.db2.gz GCIYBWLBJIPUCW-UYAOXDASSA-N 2 2 359.539 2.653 20 30 FFEDLP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCc4sccc4C3)CCC[C@@H]12 ZINC001107641881 984923073 /nfs/dbraw/zinc/92/30/73/984923073.db2.gz GCIYBWLBJIPUCW-UYAOXDASSA-N 2 2 359.539 2.653 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1F ZINC001079319743 991995469 /nfs/dbraw/zinc/99/54/69/991995469.db2.gz LVVKKDCBSZYVIZ-AZUAARDMSA-N 2 2 370.472 2.652 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)C[C@H]1C ZINC001079878093 992521734 /nfs/dbraw/zinc/52/17/34/992521734.db2.gz FRBZENNRHSEMCT-RLLQIKCJSA-N 2 2 359.558 2.737 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H]1C ZINC001079878093 992521744 /nfs/dbraw/zinc/52/17/44/992521744.db2.gz FRBZENNRHSEMCT-RLLQIKCJSA-N 2 2 359.558 2.737 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1C ZINC001079878093 992521752 /nfs/dbraw/zinc/52/17/52/992521752.db2.gz FRBZENNRHSEMCT-RLLQIKCJSA-N 2 2 359.558 2.737 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC(C)(C)CC2)C[C@H]1C ZINC001079878093 992521763 /nfs/dbraw/zinc/52/17/63/992521763.db2.gz FRBZENNRHSEMCT-RLLQIKCJSA-N 2 2 359.558 2.737 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318450 992954019 /nfs/dbraw/zinc/95/40/19/992954019.db2.gz SHJMPGOVDBQAIL-ZTFGCOKTSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318450 992954025 /nfs/dbraw/zinc/95/40/25/992954025.db2.gz SHJMPGOVDBQAIL-ZTFGCOKTSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318450 992954036 /nfs/dbraw/zinc/95/40/36/992954036.db2.gz SHJMPGOVDBQAIL-ZTFGCOKTSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318450 992954045 /nfs/dbraw/zinc/95/40/45/992954045.db2.gz SHJMPGOVDBQAIL-ZTFGCOKTSA-N 2 2 353.938 2.973 20 30 FFEDLP COc1ccc(COCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000747838499 995613143 /nfs/dbraw/zinc/61/31/43/995613143.db2.gz DCGOYXZYRFQRMS-UHFFFAOYSA-N 2 2 357.454 2.611 20 30 FFEDLP CCOc1ccccc1OCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747838424 995614957 /nfs/dbraw/zinc/61/49/57/995614957.db2.gz BLFZLGRBEDIWGZ-UHFFFAOYSA-N 2 2 357.454 2.863 20 30 FFEDLP C#Cc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OCC)C3)CC2)cc1 ZINC001144568031 998658950 /nfs/dbraw/zinc/65/89/50/998658950.db2.gz ITBWXJRMRZFLJB-FQEVSTJZSA-N 2 2 354.494 2.907 20 30 FFEDLP C#Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OCC)C3)CC2)cc1 ZINC001144568031 998658952 /nfs/dbraw/zinc/65/89/52/998658952.db2.gz ITBWXJRMRZFLJB-FQEVSTJZSA-N 2 2 354.494 2.907 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000846834507 1000454463 /nfs/dbraw/zinc/45/44/63/1000454463.db2.gz CAUOGAPILQARTP-GOSISDBHSA-N 2 2 365.481 2.773 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C ZINC000846834507 1000454468 /nfs/dbraw/zinc/45/44/68/1000454468.db2.gz CAUOGAPILQARTP-GOSISDBHSA-N 2 2 365.481 2.773 20 30 FFEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001112556357 1001466080 /nfs/dbraw/zinc/46/60/80/1001466080.db2.gz ORRLKMAVJAINGM-RXVVDRJESA-N 2 2 350.466 2.890 20 30 FFEDLP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001183839240 1002407112 /nfs/dbraw/zinc/40/71/12/1002407112.db2.gz UDWGGGRYTBBMBH-VQTJNVASSA-N 2 2 354.498 2.513 20 30 FFEDLP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001183839240 1002407117 /nfs/dbraw/zinc/40/71/17/1002407117.db2.gz UDWGGGRYTBBMBH-VQTJNVASSA-N 2 2 354.498 2.513 20 30 FFEDLP C[NH+]1CCC[C@H]1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183839240 1002407124 /nfs/dbraw/zinc/40/71/24/1002407124.db2.gz UDWGGGRYTBBMBH-VQTJNVASSA-N 2 2 354.498 2.513 20 30 FFEDLP C[NH+]1CCC[C@H]1CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183839240 1002407131 /nfs/dbraw/zinc/40/71/31/1002407131.db2.gz UDWGGGRYTBBMBH-VQTJNVASSA-N 2 2 354.498 2.513 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001086609529 1003189635 /nfs/dbraw/zinc/18/96/35/1003189635.db2.gz LDYOXKKDTUOZIY-YTQUADARSA-N 2 2 361.917 2.807 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001086609529 1003189642 /nfs/dbraw/zinc/18/96/42/1003189642.db2.gz LDYOXKKDTUOZIY-YTQUADARSA-N 2 2 361.917 2.807 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609529 1003189653 /nfs/dbraw/zinc/18/96/53/1003189653.db2.gz LDYOXKKDTUOZIY-YTQUADARSA-N 2 2 361.917 2.807 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001086609529 1003189664 /nfs/dbraw/zinc/18/96/64/1003189664.db2.gz LDYOXKKDTUOZIY-YTQUADARSA-N 2 2 361.917 2.807 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092857707 1003676453 /nfs/dbraw/zinc/67/64/53/1003676453.db2.gz KXHVFKUGQUIOKR-RHSMWYFYSA-N 2 2 358.873 2.923 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001092857707 1003676460 /nfs/dbraw/zinc/67/64/60/1003676460.db2.gz KXHVFKUGQUIOKR-RHSMWYFYSA-N 2 2 358.873 2.923 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001110578697 1005333158 /nfs/dbraw/zinc/33/31/58/1005333158.db2.gz UIMJHFASQNZAAA-OWYHZJEWSA-N 2 2 356.514 2.838 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001110578697 1005333166 /nfs/dbraw/zinc/33/31/66/1005333166.db2.gz UIMJHFASQNZAAA-OWYHZJEWSA-N 2 2 356.514 2.838 20 30 FFEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190230427 1007515827 /nfs/dbraw/zinc/51/58/27/1007515827.db2.gz YGMBOHPOFUNJSD-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190230427 1007515841 /nfs/dbraw/zinc/51/58/41/1007515841.db2.gz YGMBOHPOFUNJSD-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C#CCC[NH+]1CCC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000819881811 1008241727 /nfs/dbraw/zinc/24/17/27/1008241727.db2.gz NBVOPGFTGRNQTD-LJQANCHMSA-N 2 2 350.466 2.536 20 30 FFEDLP Cc1[nH]c(C2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)[nH+]c1C ZINC000886664619 1008802368 /nfs/dbraw/zinc/80/23/68/1008802368.db2.gz SDNYHTPVCKJGHH-INIZCTEOSA-N 2 2 369.494 2.945 20 30 FFEDLP CN(c1cc(C(F)(F)F)cc(C#N)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865536199 1010808406 /nfs/dbraw/zinc/80/84/06/1010808406.db2.gz YDEVDPSUEQUAMQ-INIZCTEOSA-N 2 2 367.419 2.577 20 30 FFEDLP CN(c1cc(C(F)(F)F)cc(C#N)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865536199 1010808411 /nfs/dbraw/zinc/80/84/11/1010808411.db2.gz YDEVDPSUEQUAMQ-INIZCTEOSA-N 2 2 367.419 2.577 20 30 FFEDLP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866375056 1010984903 /nfs/dbraw/zinc/98/49/03/1010984903.db2.gz QZWFSWZTSPBVON-QGZVFWFLSA-N 2 2 365.477 2.942 20 30 FFEDLP COc1ccc(CCNC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000303363089 1012080363 /nfs/dbraw/zinc/08/03/63/1012080363.db2.gz DRMDOTQXTFTZKU-HNNXBMFYSA-N 2 2 372.538 2.650 20 30 FFEDLP COc1ccc(CCNC(=[NH2+])NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000303363089 1012080381 /nfs/dbraw/zinc/08/03/81/1012080381.db2.gz DRMDOTQXTFTZKU-HNNXBMFYSA-N 2 2 372.538 2.650 20 30 FFEDLP C=CCOC1CCC([NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)CC1 ZINC001173321912 1012440059 /nfs/dbraw/zinc/44/00/59/1012440059.db2.gz VLZHMIURUYKFJB-QAJIEZEQSA-N 2 2 358.530 2.688 20 30 FFEDLP C=CCOC1CCC([NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)CC1 ZINC001173321912 1012440066 /nfs/dbraw/zinc/44/00/66/1012440066.db2.gz VLZHMIURUYKFJB-QAJIEZEQSA-N 2 2 358.530 2.688 20 30 FFEDLP C=CCOC1CCC([N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)CC1 ZINC001173321912 1012440080 /nfs/dbraw/zinc/44/00/80/1012440080.db2.gz VLZHMIURUYKFJB-QAJIEZEQSA-N 2 2 358.530 2.688 20 30 FFEDLP C=CCOC1CCC([N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)CC1 ZINC001173321912 1012440089 /nfs/dbraw/zinc/44/00/89/1012440089.db2.gz VLZHMIURUYKFJB-QAJIEZEQSA-N 2 2 358.530 2.688 20 30 FFEDLP C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001275542627 1012602180 /nfs/dbraw/zinc/60/21/80/1012602180.db2.gz YRWXOMUDVOSWOO-LJQANCHMSA-N 2 2 350.466 2.777 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCCc2cn3cccc(C)c3[nH+]2)cc1OC ZINC000304502141 1012744130 /nfs/dbraw/zinc/74/41/30/1012744130.db2.gz PPTBXLJUVQFCOX-UHFFFAOYSA-N 2 2 353.426 2.629 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\c1ccccc1 ZINC001097248249 1017245966 /nfs/dbraw/zinc/24/59/66/1017245966.db2.gz UQGPDVXASRMLIC-FUGLBVKKSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\c1ccccc1 ZINC001097248249 1017245978 /nfs/dbraw/zinc/24/59/78/1017245978.db2.gz UQGPDVXASRMLIC-FUGLBVKKSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C/C=C\c1ccccc1 ZINC001097248249 1017245989 /nfs/dbraw/zinc/24/59/89/1017245989.db2.gz UQGPDVXASRMLIC-FUGLBVKKSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C/C=C\c1ccccc1 ZINC001097248249 1017246004 /nfs/dbraw/zinc/24/60/04/1017246004.db2.gz UQGPDVXASRMLIC-FUGLBVKKSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C)cc1C ZINC001097248582 1017271387 /nfs/dbraw/zinc/27/13/87/1017271387.db2.gz BEHOYNFOQWAIAH-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C)cc1C ZINC001097248582 1017271400 /nfs/dbraw/zinc/27/14/00/1017271400.db2.gz BEHOYNFOQWAIAH-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C)cc1C ZINC001097248582 1017271412 /nfs/dbraw/zinc/27/14/12/1017271412.db2.gz BEHOYNFOQWAIAH-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C)cc1C ZINC001097248582 1017271418 /nfs/dbraw/zinc/27/14/18/1017271418.db2.gz BEHOYNFOQWAIAH-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(C#N)c1O ZINC000924628918 1017383366 /nfs/dbraw/zinc/38/33/66/1017383366.db2.gz XSDIFUKXPKWQBT-LJQANCHMSA-N 2 2 365.481 2.652 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC001052460651 1017424427 /nfs/dbraw/zinc/42/44/27/1017424427.db2.gz BVQVIQYJDCMYTJ-GUDVDZBRSA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC001052460651 1017424430 /nfs/dbraw/zinc/42/44/30/1017424430.db2.gz BVQVIQYJDCMYTJ-GUDVDZBRSA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC001052460651 1017424438 /nfs/dbraw/zinc/42/44/38/1017424438.db2.gz BVQVIQYJDCMYTJ-GUDVDZBRSA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC001052460651 1017424444 /nfs/dbraw/zinc/42/44/44/1017424444.db2.gz BVQVIQYJDCMYTJ-GUDVDZBRSA-N 2 2 363.465 2.556 20 30 FFEDLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001097443544 1017469915 /nfs/dbraw/zinc/46/99/15/1017469915.db2.gz JRFVDLRBWGEQFB-FCEUIQTBSA-N 2 2 370.456 2.721 20 30 FFEDLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001097443544 1017469919 /nfs/dbraw/zinc/46/99/19/1017469919.db2.gz JRFVDLRBWGEQFB-FCEUIQTBSA-N 2 2 370.456 2.721 20 30 FFEDLP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000924786110 1017481034 /nfs/dbraw/zinc/48/10/34/1017481034.db2.gz APTZDZHTNFXEJB-DLBZAZTESA-N 2 2 364.534 2.990 20 30 FFEDLP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000924786110 1017481036 /nfs/dbraw/zinc/48/10/36/1017481036.db2.gz APTZDZHTNFXEJB-DLBZAZTESA-N 2 2 364.534 2.990 20 30 FFEDLP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)C1 ZINC001096022241 1019951846 /nfs/dbraw/zinc/95/18/46/1019951846.db2.gz HHDJZQQHDFEXJO-AABGKKOBSA-N 2 2 366.509 2.512 20 30 FFEDLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)C1 ZINC001096022241 1019951850 /nfs/dbraw/zinc/95/18/50/1019951850.db2.gz HHDJZQQHDFEXJO-AABGKKOBSA-N 2 2 366.509 2.512 20 30 FFEDLP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)C1 ZINC001096022241 1019951855 /nfs/dbraw/zinc/95/18/55/1019951855.db2.gz HHDJZQQHDFEXJO-AABGKKOBSA-N 2 2 366.509 2.512 20 30 FFEDLP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)C1 ZINC001096022241 1019951859 /nfs/dbraw/zinc/95/18/59/1019951859.db2.gz HHDJZQQHDFEXJO-AABGKKOBSA-N 2 2 366.509 2.512 20 30 FFEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001111169370 1022188078 /nfs/dbraw/zinc/18/80/78/1022188078.db2.gz QANHEHIQPGJHRO-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001111169370 1022188089 /nfs/dbraw/zinc/18/80/89/1022188089.db2.gz QANHEHIQPGJHRO-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP CN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(F)c1C#N ZINC001222608973 1033070910 /nfs/dbraw/zinc/07/09/10/1033070910.db2.gz KFMVSAAUBKGEFA-IBGZPJMESA-N 2 2 364.468 2.952 20 30 FFEDLP CN(C)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(F)c1C#N ZINC001222608973 1033070929 /nfs/dbraw/zinc/07/09/29/1033070929.db2.gz KFMVSAAUBKGEFA-IBGZPJMESA-N 2 2 364.468 2.952 20 30 FFEDLP N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218541328 1033210322 /nfs/dbraw/zinc/21/03/22/1033210322.db2.gz KRWDDGVYACLQGG-UHFFFAOYSA-N 2 2 358.442 2.706 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@]2(C)C1 ZINC001101392911 1024618771 /nfs/dbraw/zinc/61/87/71/1024618771.db2.gz LRBXXTICOZARSX-GCJKJVERSA-N 2 2 366.509 2.932 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@]2(C)C1 ZINC001101392911 1024618779 /nfs/dbraw/zinc/61/87/79/1024618779.db2.gz LRBXXTICOZARSX-GCJKJVERSA-N 2 2 366.509 2.932 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425760 1027455618 /nfs/dbraw/zinc/45/56/18/1027455618.db2.gz ODEAHFWRULJREB-YUELXQCFSA-N 2 2 350.894 2.656 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425760 1027455626 /nfs/dbraw/zinc/45/56/26/1027455626.db2.gz ODEAHFWRULJREB-YUELXQCFSA-N 2 2 350.894 2.656 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001103533797 1027645121 /nfs/dbraw/zinc/64/51/21/1027645121.db2.gz BNPYYGFEPCZQHU-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001103533797 1027645125 /nfs/dbraw/zinc/64/51/25/1027645125.db2.gz BNPYYGFEPCZQHU-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP Cc1[nH+]c2c(n1-c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)CC[NH2+]CC2 ZINC001165352382 1029954482 /nfs/dbraw/zinc/95/44/82/1029954482.db2.gz RTORVHNARTZFDL-KRWDZBQOSA-N 2 2 358.449 2.623 20 30 FFEDLP Cc1[nH+]c2c(n1-c1ccc(COc3ccc(CC#N)cc3)cn1)CC[NH2+]CC2 ZINC001165354951 1029957054 /nfs/dbraw/zinc/95/70/54/1029957054.db2.gz ONZSLVKAFPFRBI-UHFFFAOYSA-N 2 2 373.460 2.909 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001112423921 1030786892 /nfs/dbraw/zinc/78/68/92/1030786892.db2.gz MANWQOWMTCPAQJ-LPHOPBHVSA-N 2 2 363.889 2.604 20 30 FFEDLP CC[NH+](CC)CC#C[C@@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796768439 1030911935 /nfs/dbraw/zinc/91/19/35/1030911935.db2.gz CFJYFGSRMCXFAM-CYBMUJFWSA-N 2 2 363.408 2.900 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001205674304 1031924884 /nfs/dbraw/zinc/92/48/84/1031924884.db2.gz JVEQIQUYAUEILU-FUHWJXTLSA-N 2 2 370.472 2.987 20 30 FFEDLP N#Cc1ccc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c(OC(F)(F)F)c1 ZINC001218841357 1033369668 /nfs/dbraw/zinc/36/96/68/1033369668.db2.gz ZCUACKOEBMPWHU-ZDUSSCGKSA-N 2 2 364.327 2.668 20 30 FFEDLP N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001277038111 1034225603 /nfs/dbraw/zinc/22/56/03/1034225603.db2.gz HHSHBSRXXHRCEV-FQEVSTJZSA-N 2 2 351.454 2.595 20 30 FFEDLP N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001277038111 1034225612 /nfs/dbraw/zinc/22/56/12/1034225612.db2.gz HHSHBSRXXHRCEV-FQEVSTJZSA-N 2 2 351.454 2.595 20 30 FFEDLP C#CC[C@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC001220533797 1034241117 /nfs/dbraw/zinc/24/11/17/1034241117.db2.gz STOMUEUIEJLUGO-FUHWJXTLSA-N 2 2 368.308 2.858 20 30 FFEDLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001226886334 1034873577 /nfs/dbraw/zinc/87/35/77/1034873577.db2.gz XNBYYRVKEGWJOK-UAFMIMERSA-N 2 2 362.477 2.582 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1F ZINC001139528529 1035149388 /nfs/dbraw/zinc/14/93/88/1035149388.db2.gz UUVHAWHMWQSIBJ-UHFFFAOYSA-N 2 2 353.445 2.548 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1F ZINC001139528529 1035149392 /nfs/dbraw/zinc/14/93/92/1035149392.db2.gz UUVHAWHMWQSIBJ-UHFFFAOYSA-N 2 2 353.445 2.548 20 30 FFEDLP N#Cc1cccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c[nH]c21 ZINC001139701742 1035201950 /nfs/dbraw/zinc/20/19/50/1035201950.db2.gz PSCWUSIYULKKSK-RTBURBONSA-N 2 2 357.461 2.998 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnc(SC)cc2C)CC1 ZINC001232351830 1035613406 /nfs/dbraw/zinc/61/34/06/1035613406.db2.gz PDNZRZNUCDKXLJ-UHFFFAOYSA-N 2 2 360.571 2.904 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(OC)c(C)cc2OC)CC1 ZINC001232833704 1036086652 /nfs/dbraw/zinc/08/66/52/1036086652.db2.gz BNLQGBQKKIAHOW-UHFFFAOYSA-N 2 2 373.541 2.804 20 30 FFEDLP C#CCN1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)C1=O ZINC001277905228 1037230009 /nfs/dbraw/zinc/23/00/09/1037230009.db2.gz KKLLZCGFRVLOFM-FQEVSTJZSA-N 2 2 368.868 2.583 20 30 FFEDLP C#CCN1CC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)C1=O ZINC001277905228 1037230023 /nfs/dbraw/zinc/23/00/23/1037230023.db2.gz KKLLZCGFRVLOFM-FQEVSTJZSA-N 2 2 368.868 2.583 20 30 FFEDLP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001231619108 1037738463 /nfs/dbraw/zinc/73/84/63/1037738463.db2.gz PZNVGKHMJUTVRE-IFMALSPDSA-N 2 2 369.509 2.747 20 30 FFEDLP COc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001231619108 1037738474 /nfs/dbraw/zinc/73/84/74/1037738474.db2.gz PZNVGKHMJUTVRE-IFMALSPDSA-N 2 2 369.509 2.747 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001231619108 1037738495 /nfs/dbraw/zinc/73/84/95/1037738495.db2.gz PZNVGKHMJUTVRE-IFMALSPDSA-N 2 2 369.509 2.747 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001231619108 1037738512 /nfs/dbraw/zinc/73/85/12/1037738512.db2.gz PZNVGKHMJUTVRE-IFMALSPDSA-N 2 2 369.509 2.747 20 30 FFEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851943 1038556912 /nfs/dbraw/zinc/55/69/12/1038556912.db2.gz OLVYZCOKOVETEL-JOCHJYFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851943 1038556924 /nfs/dbraw/zinc/55/69/24/1038556924.db2.gz OLVYZCOKOVETEL-JOCHJYFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851943 1038556934 /nfs/dbraw/zinc/55/69/34/1038556934.db2.gz OLVYZCOKOVETEL-JOCHJYFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851943 1038556945 /nfs/dbraw/zinc/55/69/45/1038556945.db2.gz OLVYZCOKOVETEL-JOCHJYFZSA-N 2 2 371.525 2.552 20 30 FFEDLP C#CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CC1 ZINC001253749027 1040353329 /nfs/dbraw/zinc/35/33/29/1040353329.db2.gz BERIJNDMEJYHNI-FQEVSTJZSA-N 2 2 373.928 2.938 20 30 FFEDLP C#CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CC1 ZINC001253749027 1040353338 /nfs/dbraw/zinc/35/33/38/1040353338.db2.gz BERIJNDMEJYHNI-FQEVSTJZSA-N 2 2 373.928 2.938 20 30 FFEDLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)C1 ZINC001254677045 1040871574 /nfs/dbraw/zinc/87/15/74/1040871574.db2.gz PWEQRFMPWDEWIG-JZXOWHBKSA-N 2 2 362.518 2.742 20 30 FFEDLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)C1 ZINC001254677045 1040871584 /nfs/dbraw/zinc/87/15/84/1040871584.db2.gz PWEQRFMPWDEWIG-JZXOWHBKSA-N 2 2 362.518 2.742 20 30 FFEDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001279392379 1043048517 /nfs/dbraw/zinc/04/85/17/1043048517.db2.gz TYKUDJMZRKQHDG-FQEVSTJZSA-N 2 2 362.468 2.686 20 30 FFEDLP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001279392379 1043048527 /nfs/dbraw/zinc/04/85/27/1043048527.db2.gz TYKUDJMZRKQHDG-FQEVSTJZSA-N 2 2 362.468 2.686 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C[C@@H]4CCCO4)C3)C2)cc1C#N ZINC001279467995 1043150020 /nfs/dbraw/zinc/15/00/20/1043150020.db2.gz QZABAXZKEAFMRQ-SFTDATJTSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C[C@@H]4CCCO4)C3)C2)cc1C#N ZINC001279467995 1043150024 /nfs/dbraw/zinc/15/00/24/1043150024.db2.gz QZABAXZKEAFMRQ-SFTDATJTSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C[C@@H]4CCCO4)C3)C2)cc1C#N ZINC001279467995 1043150028 /nfs/dbraw/zinc/15/00/28/1043150028.db2.gz QZABAXZKEAFMRQ-SFTDATJTSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C[C@@H]4CCCO4)C3)C2)cc1C#N ZINC001279467995 1043150032 /nfs/dbraw/zinc/15/00/32/1043150032.db2.gz QZABAXZKEAFMRQ-SFTDATJTSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCCOC2)C3)cc1C#N ZINC001279617612 1043347988 /nfs/dbraw/zinc/34/79/88/1043347988.db2.gz CUFBGDJIKOMTOO-NQIIRXRSSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCCOC2)C3)cc1C#N ZINC001279617612 1043347993 /nfs/dbraw/zinc/34/79/93/1043347993.db2.gz CUFBGDJIKOMTOO-NQIIRXRSSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@H]2CCCOC2)C3)cc1C#N ZINC001279617612 1043348000 /nfs/dbraw/zinc/34/80/00/1043348000.db2.gz CUFBGDJIKOMTOO-NQIIRXRSSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C[C@H]2CCCOC2)C3)cc1C#N ZINC001279617612 1043348011 /nfs/dbraw/zinc/34/80/11/1043348011.db2.gz CUFBGDJIKOMTOO-NQIIRXRSSA-N 2 2 356.514 2.611 20 30 FFEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001284731798 1046628630 /nfs/dbraw/zinc/62/86/30/1046628630.db2.gz QBXAMAOHRKAEJL-LEWJYISDSA-N 2 2 367.537 2.959 20 30 FFEDLP C#CC[NH2+]C1(CNC(=O)[C@]23C[C@H]2CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001284731886 1046628719 /nfs/dbraw/zinc/62/87/19/1046628719.db2.gz SAKQPEDCQLORNI-NFBKMPQASA-N 2 2 365.521 2.550 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001346188155 1052781592 /nfs/dbraw/zinc/78/15/92/1052781592.db2.gz ROOBZTGHQHCARO-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001346188155 1052781595 /nfs/dbraw/zinc/78/15/95/1052781595.db2.gz ROOBZTGHQHCARO-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3sccc3C#N)CC2)CC1 ZINC001351592527 1054911068 /nfs/dbraw/zinc/91/10/68/1054911068.db2.gz UGZXEXQVEHWDCV-UHFFFAOYSA-N 2 2 361.515 2.644 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3sccc3C#N)CC2)CC1 ZINC001351592527 1054911082 /nfs/dbraw/zinc/91/10/82/1054911082.db2.gz UGZXEXQVEHWDCV-UHFFFAOYSA-N 2 2 361.515 2.644 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001351657276 1054941988 /nfs/dbraw/zinc/94/19/88/1054941988.db2.gz TWLWFKTWRMBLEW-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)Cc3ccc(F)cc3)CC2)c1 ZINC001356623278 1055620772 /nfs/dbraw/zinc/62/07/72/1055620772.db2.gz YJZPUTCGKYMBHT-JOCHJYFZSA-N 2 2 367.468 2.855 20 30 FFEDLP N#Cc1ccc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC001339168319 1056161400 /nfs/dbraw/zinc/16/14/00/1056161400.db2.gz CIQYOSMEJAHCNO-KRWDZBQOSA-N 2 2 356.451 2.519 20 30 FFEDLP N#Cc1ccc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC001339168319 1056161405 /nfs/dbraw/zinc/16/14/05/1056161405.db2.gz CIQYOSMEJAHCNO-KRWDZBQOSA-N 2 2 356.451 2.519 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001479648383 1062730575 /nfs/dbraw/zinc/73/05/75/1062730575.db2.gz QNPDQFZXFZFLCZ-ZWKOTPCHSA-N 2 2 371.510 2.766 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001479648383 1062730591 /nfs/dbraw/zinc/73/05/91/1062730591.db2.gz QNPDQFZXFZFLCZ-ZWKOTPCHSA-N 2 2 371.510 2.766 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000373104772 512173463 /nfs/dbraw/zinc/17/34/63/512173463.db2.gz RHCCLTBCYSWVSI-QGZVFWFLSA-N 2 2 351.454 2.546 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000373104772 512173464 /nfs/dbraw/zinc/17/34/64/512173464.db2.gz RHCCLTBCYSWVSI-QGZVFWFLSA-N 2 2 351.454 2.546 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322010 508012034 /nfs/dbraw/zinc/01/20/34/508012034.db2.gz SEVAPTLAHHGPME-OAQYLSRUSA-N 2 2 356.514 2.637 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322010 508012036 /nfs/dbraw/zinc/01/20/36/508012036.db2.gz SEVAPTLAHHGPME-OAQYLSRUSA-N 2 2 356.514 2.637 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000106266296 508398636 /nfs/dbraw/zinc/39/86/36/508398636.db2.gz HUAKERVIMKSECI-UHFFFAOYSA-N 2 2 353.470 2.712 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000157395818 508561504 /nfs/dbraw/zinc/56/15/04/508561504.db2.gz LPPXPULSQPBVCG-ICSRJNTNSA-N 2 2 352.482 2.614 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000157395818 508561506 /nfs/dbraw/zinc/56/15/06/508561506.db2.gz LPPXPULSQPBVCG-ICSRJNTNSA-N 2 2 352.482 2.614 20 30 FFEDLP N#CCCN(C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157534518 508578295 /nfs/dbraw/zinc/57/82/95/508578295.db2.gz RWODRVZLIFKQFT-IBGZPJMESA-N 2 2 354.498 2.884 20 30 FFEDLP N#CCCN(C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157534518 508578299 /nfs/dbraw/zinc/57/82/99/508578299.db2.gz RWODRVZLIFKQFT-IBGZPJMESA-N 2 2 354.498 2.884 20 30 FFEDLP COc1ccc(CNC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000264070812 509316950 /nfs/dbraw/zinc/31/69/50/509316950.db2.gz GAJNYAXQEJEMDJ-QGZVFWFLSA-N 2 2 374.460 2.550 20 30 FFEDLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000173616145 509676975 /nfs/dbraw/zinc/67/69/75/509676975.db2.gz DDPXRISKHRRXIE-CYBMUJFWSA-N 2 2 360.527 2.898 20 30 FFEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000268146245 509779906 /nfs/dbraw/zinc/77/99/06/509779906.db2.gz QQCBMJSDQQMBLQ-INIZCTEOSA-N 2 2 369.469 2.803 20 30 FFEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000268146245 509779912 /nfs/dbraw/zinc/77/99/12/509779912.db2.gz QQCBMJSDQQMBLQ-INIZCTEOSA-N 2 2 369.469 2.803 20 30 FFEDLP CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245720942 510108072 /nfs/dbraw/zinc/10/80/72/510108072.db2.gz PSQSWTQVIKRIRH-NHCUHLMSSA-N 2 2 368.525 2.967 20 30 FFEDLP CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245720942 510108074 /nfs/dbraw/zinc/10/80/74/510108074.db2.gz PSQSWTQVIKRIRH-NHCUHLMSSA-N 2 2 368.525 2.967 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOC[C@@H]3CCCO3)CC2)cc1 ZINC000181420809 510400947 /nfs/dbraw/zinc/40/09/47/510400947.db2.gz TXMLCERUFFQNDC-NRFANRHFSA-N 2 2 357.498 2.698 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC(=O)N3CCCCCC3)CC2)cc1 ZINC000181634290 510513696 /nfs/dbraw/zinc/51/36/96/510513696.db2.gz XKZNYMLZEYBYBJ-UHFFFAOYSA-N 2 2 368.525 2.905 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247319770 510856953 /nfs/dbraw/zinc/85/69/53/510856953.db2.gz SEVVPGVLAJMWRO-CVEARBPZSA-N 2 2 351.454 2.573 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247319770 510856954 /nfs/dbraw/zinc/85/69/54/510856954.db2.gz SEVVPGVLAJMWRO-CVEARBPZSA-N 2 2 351.454 2.573 20 30 FFEDLP COc1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)ccc1C#N ZINC000282448290 510982149 /nfs/dbraw/zinc/98/21/49/510982149.db2.gz UXWLSCADFXTVBB-UHFFFAOYSA-N 2 2 356.514 2.557 20 30 FFEDLP CC(=O)NC1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271850071 511347217 /nfs/dbraw/zinc/34/72/17/511347217.db2.gz INPRGJVSEPDSDF-UHFFFAOYSA-N 2 2 354.498 2.560 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000281736028 511947941 /nfs/dbraw/zinc/94/79/41/511947941.db2.gz BALYSQUVAHDBHT-KRWDZBQOSA-N 2 2 371.529 2.759 20 30 FFEDLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000329387378 512037838 /nfs/dbraw/zinc/03/78/38/512037838.db2.gz QEJWSRQGKRQSOC-YOEHRIQHSA-N 2 2 361.515 2.911 20 30 FFEDLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000329387378 512037843 /nfs/dbraw/zinc/03/78/43/512037843.db2.gz QEJWSRQGKRQSOC-YOEHRIQHSA-N 2 2 361.515 2.911 20 30 FFEDLP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329404157 512040588 /nfs/dbraw/zinc/04/05/88/512040588.db2.gz WWFLHANZXCMQMB-HNNXBMFYSA-N 2 2 354.454 2.690 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C)C(C)C ZINC000411148928 512491262 /nfs/dbraw/zinc/49/12/62/512491262.db2.gz UASJYRRMIMKEEO-SFHVURJKSA-N 2 2 372.513 2.760 20 30 FFEDLP C=CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000411370642 512603263 /nfs/dbraw/zinc/60/32/63/512603263.db2.gz PECQYJPEZUJRST-FQEVSTJZSA-N 2 2 362.539 2.848 20 30 FFEDLP C=CC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000411370642 512603269 /nfs/dbraw/zinc/60/32/69/512603269.db2.gz PECQYJPEZUJRST-FQEVSTJZSA-N 2 2 362.539 2.848 20 30 FFEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000389290824 512901153 /nfs/dbraw/zinc/90/11/53/512901153.db2.gz BZUMYKJTBMSLHV-RTWAWAEBSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000389290824 512901156 /nfs/dbraw/zinc/90/11/56/512901156.db2.gz BZUMYKJTBMSLHV-RTWAWAEBSA-N 2 2 365.477 2.552 20 30 FFEDLP Cc1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413101790 513447350 /nfs/dbraw/zinc/44/73/50/513447350.db2.gz IZWUGBZUNVXSLA-UHFFFAOYSA-N 2 2 357.458 2.745 20 30 FFEDLP C=CCC(C)(C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000432604541 514239169 /nfs/dbraw/zinc/23/91/69/514239169.db2.gz ULDVOMBSNNLGFZ-UHFFFAOYSA-N 2 2 350.551 2.838 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000424296057 514448815 /nfs/dbraw/zinc/44/88/15/514448815.db2.gz OBFQJEOSAYOKOG-HMXCVIKNSA-N 2 2 351.498 2.854 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000424296057 514448817 /nfs/dbraw/zinc/44/88/17/514448817.db2.gz OBFQJEOSAYOKOG-HMXCVIKNSA-N 2 2 351.498 2.854 20 30 FFEDLP C=CC[N@H+](CCc1ccco1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491330826 515415656 /nfs/dbraw/zinc/41/56/56/515415656.db2.gz VWMXIBDOYZWHDD-UHFFFAOYSA-N 2 2 373.522 2.716 20 30 FFEDLP C=CC[N@@H+](CCc1ccco1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000491330826 515415667 /nfs/dbraw/zinc/41/56/67/515415667.db2.gz VWMXIBDOYZWHDD-UHFFFAOYSA-N 2 2 373.522 2.716 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C#N)cc1F ZINC000512281888 516223651 /nfs/dbraw/zinc/22/36/51/516223651.db2.gz KNZMDWQFCJOOCV-OAHLLOKOSA-N 2 2 353.445 2.695 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1)Cc1ccccc1 ZINC000483965694 516263388 /nfs/dbraw/zinc/26/33/88/516263388.db2.gz YRZNHZUBSVGUBK-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1)Cc1ccccc1 ZINC000483965694 516263394 /nfs/dbraw/zinc/26/33/94/516263394.db2.gz YRZNHZUBSVGUBK-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528480859 516469892 /nfs/dbraw/zinc/46/98/92/516469892.db2.gz INSOXMVJCUOEOL-SFHVURJKSA-N 2 2 367.449 2.545 20 30 FFEDLP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCn1cc[nH+]c1 ZINC000544618384 516839518 /nfs/dbraw/zinc/83/95/18/516839518.db2.gz OGOCWYMMFSUJPQ-UHFFFAOYSA-N 2 2 360.531 2.871 20 30 FFEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000552029063 517038557 /nfs/dbraw/zinc/03/85/57/517038557.db2.gz AWGKGYZEZYCRSC-JRGCBEDISA-N 2 2 365.477 2.723 20 30 FFEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000552029063 517038565 /nfs/dbraw/zinc/03/85/65/517038565.db2.gz AWGKGYZEZYCRSC-JRGCBEDISA-N 2 2 365.477 2.723 20 30 FFEDLP C=CCNC(=O)C[NH+]1CCN(c2c(C)c(C)[nH+]c3c(Cl)cccc32)CC1 ZINC000573413838 518650648 /nfs/dbraw/zinc/65/06/48/518650648.db2.gz DUWVGDGOZWMUBY-UHFFFAOYSA-N 2 2 372.900 2.929 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000573972438 518925848 /nfs/dbraw/zinc/92/58/48/518925848.db2.gz LGORKKPHQBOJLQ-QAPCUYQASA-N 2 2 360.458 2.693 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000573972438 518925853 /nfs/dbraw/zinc/92/58/53/518925853.db2.gz LGORKKPHQBOJLQ-QAPCUYQASA-N 2 2 360.458 2.693 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000571689846 519223174 /nfs/dbraw/zinc/22/31/74/519223174.db2.gz UJBHUJCPLSQFLU-LEWJYISDSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000571689846 519223178 /nfs/dbraw/zinc/22/31/78/519223178.db2.gz UJBHUJCPLSQFLU-LEWJYISDSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000571689846 519223182 /nfs/dbraw/zinc/22/31/82/519223182.db2.gz UJBHUJCPLSQFLU-LEWJYISDSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000571689846 519223185 /nfs/dbraw/zinc/22/31/85/519223185.db2.gz UJBHUJCPLSQFLU-LEWJYISDSA-N 2 2 374.488 2.951 20 30 FFEDLP N#Cc1ccccc1OC1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000577856996 519293101 /nfs/dbraw/zinc/29/31/01/519293101.db2.gz WWCFYHRZZKNIHM-RQWVFBBXSA-N 2 2 355.482 2.605 20 30 FFEDLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000566417210 519481202 /nfs/dbraw/zinc/48/12/02/519481202.db2.gz WKFFHQCMQIMORK-HTAPYJJXSA-N 2 2 367.493 2.815 20 30 FFEDLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000566417210 519481207 /nfs/dbraw/zinc/48/12/07/519481207.db2.gz WKFFHQCMQIMORK-HTAPYJJXSA-N 2 2 367.493 2.815 20 30 FFEDLP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000602948108 519987247 /nfs/dbraw/zinc/98/72/47/519987247.db2.gz ACEUZOBCBKDGNG-IBGZPJMESA-N 2 2 357.498 2.638 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595550908 520547136 /nfs/dbraw/zinc/54/71/36/520547136.db2.gz DYQCICCBKSUBJC-MRXNPFEDSA-N 2 2 367.497 2.826 20 30 FFEDLP Cc1cc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)c[nH+]1 ZINC000593175759 520801153 /nfs/dbraw/zinc/80/11/53/520801153.db2.gz BHINMOVAKBNZQC-UHFFFAOYSA-N 2 2 363.465 2.778 20 30 FFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000183890740 729315804 /nfs/dbraw/zinc/31/58/04/729315804.db2.gz VEKYLAFTOMHUDN-AWEZNQCLSA-N 2 2 360.449 2.672 20 30 FFEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)NC[C@@H]1CCCS1 ZINC000261991058 729656523 /nfs/dbraw/zinc/65/65/23/729656523.db2.gz RHRHAECUZOGCSQ-ZFWWWQNUSA-N 2 2 352.573 2.555 20 30 FFEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)NC[C@@H]1CCCS1 ZINC000261991058 729656524 /nfs/dbraw/zinc/65/65/24/729656524.db2.gz RHRHAECUZOGCSQ-ZFWWWQNUSA-N 2 2 352.573 2.555 20 30 FFEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000764247017 737005211 /nfs/dbraw/zinc/00/52/11/737005211.db2.gz KMDNBNAYWTWELW-INIZCTEOSA-N 2 2 353.869 2.850 20 30 FFEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1-n1cc[nH+]c1C ZINC001276052585 1013374744 /nfs/dbraw/zinc/37/47/44/1013374744.db2.gz DAGUWAXYFMODNG-WOJBJXKFSA-N 2 2 350.466 2.932 20 30 FFEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1-n1cc[nH+]c1C ZINC001276052585 1013374754 /nfs/dbraw/zinc/37/47/54/1013374754.db2.gz DAGUWAXYFMODNG-WOJBJXKFSA-N 2 2 350.466 2.932 20 30 FFEDLP C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960681478 1013449335 /nfs/dbraw/zinc/44/93/35/1013449335.db2.gz RUBCIGQIXQKSNW-GUDVDZBRSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960681478 1013449341 /nfs/dbraw/zinc/44/93/41/1013449341.db2.gz RUBCIGQIXQKSNW-GUDVDZBRSA-N 2 2 363.465 2.508 20 30 FFEDLP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261968957 965101822 /nfs/dbraw/zinc/10/18/22/965101822.db2.gz MFYKSVNDEOGFEP-AVEIZBFRSA-N 2 2 359.518 2.545 20 30 FFEDLP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001104436126 967164676 /nfs/dbraw/zinc/16/46/76/967164676.db2.gz ZTLBZFDPEBLOFA-VQIMIIECSA-N 2 2 359.514 2.897 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1CC ZINC001087575453 968218641 /nfs/dbraw/zinc/21/86/41/968218641.db2.gz IKMWNDKYMJYJEH-AKHDSKFASA-N 2 2 356.514 2.699 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1CC ZINC001087575453 968218650 /nfs/dbraw/zinc/21/86/50/968218650.db2.gz IKMWNDKYMJYJEH-AKHDSKFASA-N 2 2 356.514 2.699 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1 ZINC001211639751 969459024 /nfs/dbraw/zinc/45/90/24/969459024.db2.gz GUTWFEVVJMZPHB-VQTJNVASSA-N 2 2 366.509 2.903 20 30 FFEDLP COc1cccc(NC(=[NH2+])NC[C@H](c2ccc(OC)c(OC)c2)[NH+](C)C)c1 ZINC000170906171 970241037 /nfs/dbraw/zinc/24/10/37/970241037.db2.gz ZTQTZDRQCMBCCS-QGZVFWFLSA-N 2 2 372.469 2.742 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985485868 974203535 /nfs/dbraw/zinc/20/35/35/974203535.db2.gz VJBSFLFRWJPHAZ-RTBURBONSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985485868 974203541 /nfs/dbraw/zinc/20/35/41/974203541.db2.gz VJBSFLFRWJPHAZ-RTBURBONSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000985485868 974203549 /nfs/dbraw/zinc/20/35/49/974203549.db2.gz VJBSFLFRWJPHAZ-RTBURBONSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000985485868 974203558 /nfs/dbraw/zinc/20/35/58/974203558.db2.gz VJBSFLFRWJPHAZ-RTBURBONSA-N 2 2 363.465 2.508 20 30 FFEDLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075948788 975404572 /nfs/dbraw/zinc/40/45/72/975404572.db2.gz IRRRUBCYTVKFNL-PGRDOPGGSA-N 2 2 370.456 2.761 20 30 FFEDLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075948788 975404575 /nfs/dbraw/zinc/40/45/75/975404575.db2.gz IRRRUBCYTVKFNL-PGRDOPGGSA-N 2 2 370.456 2.761 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C(C)C ZINC000663381854 975686725 /nfs/dbraw/zinc/68/67/25/975686725.db2.gz WZTYOJQQTIOPFM-SFHVURJKSA-N 2 2 373.545 2.938 20 30 FFEDLP C=CC[C@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000664236236 978412313 /nfs/dbraw/zinc/41/23/13/978412313.db2.gz ZDJNVZNSPMMZHU-IBGZPJMESA-N 2 2 362.562 2.934 20 30 FFEDLP C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1 ZINC000904670907 980325707 /nfs/dbraw/zinc/32/57/07/980325707.db2.gz BMIMUUJLPIDLGM-MRXNPFEDSA-N 2 2 356.474 2.630 20 30 FFEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCOCC1 ZINC000905574827 980467842 /nfs/dbraw/zinc/46/78/42/980467842.db2.gz CUTOWLCOODWWIH-LJQANCHMSA-N 2 2 359.514 2.558 20 30 FFEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCOCC1 ZINC000905574827 980467845 /nfs/dbraw/zinc/46/78/45/980467845.db2.gz CUTOWLCOODWWIH-LJQANCHMSA-N 2 2 359.514 2.558 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088563665 981121748 /nfs/dbraw/zinc/12/17/48/981121748.db2.gz ZFOUYXWYAKGNEK-QMMLZNLJSA-N 2 2 371.500 2.629 20 30 FFEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088563665 981121750 /nfs/dbraw/zinc/12/17/50/981121750.db2.gz ZFOUYXWYAKGNEK-QMMLZNLJSA-N 2 2 371.500 2.629 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088563665 981121754 /nfs/dbraw/zinc/12/17/54/981121754.db2.gz ZFOUYXWYAKGNEK-QMMLZNLJSA-N 2 2 371.500 2.629 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088563665 981121756 /nfs/dbraw/zinc/12/17/56/981121756.db2.gz ZFOUYXWYAKGNEK-QMMLZNLJSA-N 2 2 371.500 2.629 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088630961 982044996 /nfs/dbraw/zinc/04/49/96/982044996.db2.gz JXOKTWPVXPHESK-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088630961 982045000 /nfs/dbraw/zinc/04/50/00/982045000.db2.gz JXOKTWPVXPHESK-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088630961 982045003 /nfs/dbraw/zinc/04/50/03/982045003.db2.gz JXOKTWPVXPHESK-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(Cl)cc2)[C@@H]1C ZINC001088630961 982045010 /nfs/dbraw/zinc/04/50/10/982045010.db2.gz JXOKTWPVXPHESK-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001112112596 984699248 /nfs/dbraw/zinc/69/92/48/984699248.db2.gz ODRHCHPQVVVWHO-BPLDGKMQSA-N 2 2 358.408 2.676 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112112596 984699254 /nfs/dbraw/zinc/69/92/54/984699254.db2.gz ODRHCHPQVVVWHO-BPLDGKMQSA-N 2 2 358.408 2.676 20 30 FFEDLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000879569368 1015591251 /nfs/dbraw/zinc/59/12/51/1015591251.db2.gz OBFFKPJPECFWSQ-RHSMWYFYSA-N 2 2 372.538 2.853 20 30 FFEDLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000879569368 1015591255 /nfs/dbraw/zinc/59/12/55/1015591255.db2.gz OBFFKPJPECFWSQ-RHSMWYFYSA-N 2 2 372.538 2.853 20 30 FFEDLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000879569368 1015591261 /nfs/dbraw/zinc/59/12/61/1015591261.db2.gz OBFFKPJPECFWSQ-RHSMWYFYSA-N 2 2 372.538 2.853 20 30 FFEDLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC[C@H]21 ZINC000879569368 1015591268 /nfs/dbraw/zinc/59/12/68/1015591268.db2.gz OBFFKPJPECFWSQ-RHSMWYFYSA-N 2 2 372.538 2.853 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962541 992600608 /nfs/dbraw/zinc/60/06/08/992600608.db2.gz PDDBCSPNNQEMBF-KZULUSFZSA-N 2 2 365.462 2.746 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962541 992600612 /nfs/dbraw/zinc/60/06/12/992600612.db2.gz PDDBCSPNNQEMBF-KZULUSFZSA-N 2 2 365.462 2.746 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084664927 996786369 /nfs/dbraw/zinc/78/63/69/996786369.db2.gz WQVGROWIIIQCHS-RTBURBONSA-N 2 2 361.917 2.690 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001084664927 996786376 /nfs/dbraw/zinc/78/63/76/996786376.db2.gz WQVGROWIIIQCHS-RTBURBONSA-N 2 2 361.917 2.690 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1ccc(OC)cc1 ZINC001090883072 997613636 /nfs/dbraw/zinc/61/36/36/997613636.db2.gz XMHKXGHOASVBQH-LSTHTHJFSA-N 2 2 368.481 2.613 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000737951122 999612660 /nfs/dbraw/zinc/61/26/60/999612660.db2.gz FXANHQDOWKCSFF-NRFANRHFSA-N 2 2 368.525 2.501 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000737951122 999612661 /nfs/dbraw/zinc/61/26/61/999612661.db2.gz FXANHQDOWKCSFF-NRFANRHFSA-N 2 2 368.525 2.501 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001050048199 1016871095 /nfs/dbraw/zinc/87/10/95/1016871095.db2.gz JUCWFFVRDCBYCL-IYWMVGAKSA-N 2 2 368.525 2.653 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001050048199 1016871110 /nfs/dbraw/zinc/87/11/10/1016871110.db2.gz JUCWFFVRDCBYCL-IYWMVGAKSA-N 2 2 368.525 2.653 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)c3ccc(C#N)cc3)CC2)CC1 ZINC000858927582 1008451786 /nfs/dbraw/zinc/45/17/86/1008451786.db2.gz NUQZETFOPSZPNA-UHFFFAOYSA-N 2 2 368.525 2.511 20 30 FFEDLP COC(=O)c1ccc(C(=[NH2+])Nc2ccc(C)cc2C[NH+]2CCOCC2)cc1 ZINC001170988729 1008652170 /nfs/dbraw/zinc/65/21/70/1008652170.db2.gz GBDVHPFXDGMEMK-UHFFFAOYSA-N 2 2 367.449 2.651 20 30 FFEDLP N#CCN1CCC([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)CC1 ZINC001177693370 1008719135 /nfs/dbraw/zinc/71/91/35/1008719135.db2.gz PFGHYPYUJCOMAK-UHFFFAOYSA-N 2 2 373.888 2.693 20 30 FFEDLP Cc1cccc(NC(=[NH2+])NCc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000303889249 1012502183 /nfs/dbraw/zinc/50/21/83/1012502183.db2.gz PJJHLHFWVLSZBX-UHFFFAOYSA-N 2 2 368.481 2.633 20 30 FFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCc1ccc(OC)c(OC)c1)c1ccco1 ZINC000303905533 1012513586 /nfs/dbraw/zinc/51/35/86/1012513586.db2.gz ZMQTUYDFYPYSSZ-INIZCTEOSA-N 2 2 374.485 2.784 20 30 FFEDLP C[N@H+](CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)Cc1ccc(F)cc1 ZINC000304755467 1012863056 /nfs/dbraw/zinc/86/30/56/1012863056.db2.gz ZHGLDHDIQNBJQJ-GOSISDBHSA-N 2 2 356.445 2.686 20 30 FFEDLP C[N@@H+](CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)Cc1ccc(F)cc1 ZINC000304755467 1012863076 /nfs/dbraw/zinc/86/30/76/1012863076.db2.gz ZHGLDHDIQNBJQJ-GOSISDBHSA-N 2 2 356.445 2.686 20 30 FFEDLP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001052387955 1017387072 /nfs/dbraw/zinc/38/70/72/1017387072.db2.gz YCCOLQHVQVOGOQ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001052387955 1017387080 /nfs/dbraw/zinc/38/70/80/1017387080.db2.gz YCCOLQHVQVOGOQ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP Cc1cc(C#N)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)s1 ZINC001218554434 1033218793 /nfs/dbraw/zinc/21/87/93/1033218793.db2.gz JHMCZNNGYMVXRH-KRWDZBQOSA-N 2 2 366.490 2.588 20 30 FFEDLP Cc1cc(C#N)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)s1 ZINC001218554434 1033218800 /nfs/dbraw/zinc/21/88/00/1033218800.db2.gz JHMCZNNGYMVXRH-KRWDZBQOSA-N 2 2 366.490 2.588 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103162616 1027018795 /nfs/dbraw/zinc/01/87/95/1027018795.db2.gz DDKOXMAEVJPNQV-DAXOMENPSA-N 2 2 364.921 2.650 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103162616 1027018801 /nfs/dbraw/zinc/01/88/01/1027018801.db2.gz DDKOXMAEVJPNQV-DAXOMENPSA-N 2 2 364.921 2.650 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103162616 1027018808 /nfs/dbraw/zinc/01/88/08/1027018808.db2.gz DDKOXMAEVJPNQV-DAXOMENPSA-N 2 2 364.921 2.650 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103162616 1027018815 /nfs/dbraw/zinc/01/88/15/1027018815.db2.gz DDKOXMAEVJPNQV-DAXOMENPSA-N 2 2 364.921 2.650 20 30 FFEDLP N#Cc1ccccc1Oc1nc(Cl)ncc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161872994 1028341736 /nfs/dbraw/zinc/34/17/36/1028341736.db2.gz RSGZMXRGSOJEIF-UHFFFAOYSA-N 2 2 372.860 2.629 20 30 FFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001104219788 1028675733 /nfs/dbraw/zinc/67/57/33/1028675733.db2.gz KFXBFPRCWNCHMA-GDBMZVCRSA-N 2 2 364.921 2.589 20 30 FFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112183505 1030169674 /nfs/dbraw/zinc/16/96/74/1030169674.db2.gz MEQHBLUZAFDJSH-ZIAGYGMSSA-N 2 2 358.408 2.678 20 30 FFEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001112418382 1030778281 /nfs/dbraw/zinc/77/82/81/1030778281.db2.gz XBOLNFYKMULDAZ-ZVDOUQERSA-N 2 2 356.514 2.712 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001205412240 1031722751 /nfs/dbraw/zinc/72/27/51/1031722751.db2.gz FICQATCCVIJKKB-RBUKOAKNSA-N 2 2 356.445 2.642 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205412240 1031722769 /nfs/dbraw/zinc/72/27/69/1031722769.db2.gz FICQATCCVIJKKB-RBUKOAKNSA-N 2 2 356.445 2.642 20 30 FFEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205439708 1031745936 /nfs/dbraw/zinc/74/59/36/1031745936.db2.gz HGFPILZCRJRASM-FFZOFVMBSA-N 2 2 368.456 2.581 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1F ZINC001205596558 1031860454 /nfs/dbraw/zinc/86/04/54/1031860454.db2.gz AYZJDCWYYFTUAH-FUHWJXTLSA-N 2 2 356.445 2.642 20 30 FFEDLP C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139768221 1035225921 /nfs/dbraw/zinc/22/59/21/1035225921.db2.gz HTXBWYDMIQMIJH-UHFFFAOYSA-N 2 2 365.477 2.901 20 30 FFEDLP C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139768221 1035225925 /nfs/dbraw/zinc/22/59/25/1035225925.db2.gz HTXBWYDMIQMIJH-UHFFFAOYSA-N 2 2 365.477 2.901 20 30 FFEDLP N#Cc1cc(F)cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001139877370 1035264717 /nfs/dbraw/zinc/26/47/17/1035264717.db2.gz HJMRJVSDCOLAAP-UHFFFAOYSA-N 2 2 353.445 2.548 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(F)c1 ZINC001140138581 1035355416 /nfs/dbraw/zinc/35/54/16/1035355416.db2.gz MQFZIARONCINEC-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(F)c1 ZINC001140138581 1035355424 /nfs/dbraw/zinc/35/54/24/1035355424.db2.gz MQFZIARONCINEC-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1CC ZINC001278969627 1038636650 /nfs/dbraw/zinc/63/66/50/1038636650.db2.gz NJKVRFBRDQNTBV-AQNXPRMDSA-N 2 2 364.493 2.556 20 30 FFEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246033681 1039205764 /nfs/dbraw/zinc/20/57/64/1039205764.db2.gz ONFFWIBJABOQOT-FPOVZHCZSA-N 2 2 367.578 2.822 20 30 FFEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246033681 1039205783 /nfs/dbraw/zinc/20/57/83/1039205783.db2.gz ONFFWIBJABOQOT-FPOVZHCZSA-N 2 2 367.578 2.822 20 30 FFEDLP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)C1 ZINC001254851468 1041005918 /nfs/dbraw/zinc/00/59/18/1041005918.db2.gz BJBMDVMUZHXAMT-LJQANCHMSA-N 2 2 361.530 2.971 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001262952245 1041985379 /nfs/dbraw/zinc/98/53/79/1041985379.db2.gz NVGVNCJWOONWEY-GBESFXJTSA-N 2 2 372.561 2.617 20 30 FFEDLP N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc4c[nH+]cn43)CC2)cc1 ZINC001238117099 1043547456 /nfs/dbraw/zinc/54/74/56/1043547456.db2.gz VRAAQXAYQSEBPP-UHFFFAOYSA-N 2 2 374.448 2.992 20 30 FFEDLP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1 ZINC001293933640 1049655786 /nfs/dbraw/zinc/65/57/86/1049655786.db2.gz VNBVDLQJQMWXDW-HDICACEKSA-N 2 2 354.498 2.656 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccccc3F)CC2)c1 ZINC001336805631 1054244479 /nfs/dbraw/zinc/24/44/79/1054244479.db2.gz VTWRRQDOTFPHSR-OAQYLSRUSA-N 2 2 353.441 2.985 20 30 FFEDLP C=CCn1c([C@@H]2C[C@H]2C)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001339580411 1056605996 /nfs/dbraw/zinc/60/59/96/1056605996.db2.gz GKJNVCNEHNRQSO-IEBWSBKVSA-N 2 2 372.561 2.584 20 30 FFEDLP C=CCn1c([C@@H]2C[C@H]2C)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001339580411 1056605998 /nfs/dbraw/zinc/60/59/98/1056605998.db2.gz GKJNVCNEHNRQSO-IEBWSBKVSA-N 2 2 372.561 2.584 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001515032645 1059240235 /nfs/dbraw/zinc/24/02/35/1059240235.db2.gz XFQBJBDODQRVSS-IPMKNSEASA-N 2 2 372.561 2.617 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CC[NH2+]CC2)O1 ZINC001576809434 1078277272 /nfs/dbraw/zinc/27/72/72/1078277272.db2.gz XYRZZKOFOUZJBD-CYBMUJFWSA-N 2 2 351.397 2.503 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CC[NH2+]CC2)O1 ZINC001576809434 1078277274 /nfs/dbraw/zinc/27/72/74/1078277274.db2.gz XYRZZKOFOUZJBD-CYBMUJFWSA-N 2 2 351.397 2.503 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001566851614 1076985251 /nfs/dbraw/zinc/98/52/51/1076985251.db2.gz UPBJFNGZCDKIMR-SFTDATJTSA-N 2 2 353.510 2.597 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001566851614 1076985253 /nfs/dbraw/zinc/98/52/53/1076985253.db2.gz UPBJFNGZCDKIMR-SFTDATJTSA-N 2 2 353.510 2.597 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001566851614 1076985256 /nfs/dbraw/zinc/98/52/56/1076985256.db2.gz UPBJFNGZCDKIMR-SFTDATJTSA-N 2 2 353.510 2.597 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001566851614 1076985257 /nfs/dbraw/zinc/98/52/57/1076985257.db2.gz UPBJFNGZCDKIMR-SFTDATJTSA-N 2 2 353.510 2.597 20 30 FFEDLP N#Cc1ccc2[nH+]cc(CNc3ccccc3C[NH+]3CCC(O)CC3)n2c1 ZINC000092135143 508046348 /nfs/dbraw/zinc/04/63/48/508046348.db2.gz OOEVQFFYDDTVQY-UHFFFAOYSA-N 2 2 361.449 2.775 20 30 FFEDLP Cc1nc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)sc1C ZINC000088520260 508373922 /nfs/dbraw/zinc/37/39/22/508373922.db2.gz IVDAIOASLLQFAV-UHFFFAOYSA-N 2 2 374.510 2.554 20 30 FFEDLP CC(C)(C#N)CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000157871482 508624655 /nfs/dbraw/zinc/62/46/55/508624655.db2.gz ZOFHMWIGTJXEHB-LJQANCHMSA-N 2 2 355.530 2.855 20 30 FFEDLP CC(C)(C#N)CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000157871482 508624659 /nfs/dbraw/zinc/62/46/59/508624659.db2.gz ZOFHMWIGTJXEHB-LJQANCHMSA-N 2 2 355.530 2.855 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000137460111 508757789 /nfs/dbraw/zinc/75/77/89/508757789.db2.gz OREWIFKTKOHRTO-FUHWJXTLSA-N 2 2 367.534 2.641 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150774406 508890630 /nfs/dbraw/zinc/89/06/30/508890630.db2.gz DAIMWGRMFRCEHD-KYBDOYODSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150774406 508890633 /nfs/dbraw/zinc/89/06/33/508890633.db2.gz DAIMWGRMFRCEHD-KYBDOYODSA-N 2 2 360.546 2.723 20 30 FFEDLP CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000155223260 508951568 /nfs/dbraw/zinc/95/15/68/508951568.db2.gz QEEBOJVUVQHNAJ-ROUUACIJSA-N 2 2 356.514 2.637 20 30 FFEDLP CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000155223260 508951571 /nfs/dbraw/zinc/95/15/71/508951571.db2.gz QEEBOJVUVQHNAJ-ROUUACIJSA-N 2 2 356.514 2.637 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192207485 509402649 /nfs/dbraw/zinc/40/26/49/509402649.db2.gz YZOLEHDTECMXIP-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192207485 509402654 /nfs/dbraw/zinc/40/26/54/509402654.db2.gz YZOLEHDTECMXIP-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000192207485 509402657 /nfs/dbraw/zinc/40/26/57/509402657.db2.gz YZOLEHDTECMXIP-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000192207485 509402661 /nfs/dbraw/zinc/40/26/61/509402661.db2.gz YZOLEHDTECMXIP-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000177045992 509836900 /nfs/dbraw/zinc/83/69/00/509836900.db2.gz KHDZZXYECUVWRA-KRWDZBQOSA-N 2 2 358.511 2.533 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000177578877 510143101 /nfs/dbraw/zinc/14/31/01/510143101.db2.gz IYNTWSAJSPZEJV-UHFFFAOYSA-N 3 2 356.558 2.957 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)C(C)C ZINC000177594181 510151407 /nfs/dbraw/zinc/15/14/07/510151407.db2.gz DBNKYKDKZMBZOH-SFHVURJKSA-N 2 2 355.486 2.832 20 30 FFEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000190730311 510312966 /nfs/dbraw/zinc/31/29/66/510312966.db2.gz HSLKUWBTHINNFO-UHFFFAOYSA-N 2 2 351.498 2.507 20 30 FFEDLP CC(C)(C)n1ncnc1CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000282164772 510872058 /nfs/dbraw/zinc/87/20/58/510872058.db2.gz DJACVXNJBURKFP-UHFFFAOYSA-N 2 2 370.501 2.856 20 30 FFEDLP O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330265970 510950895 /nfs/dbraw/zinc/95/08/95/510950895.db2.gz ZYSWTKFNUMTVKX-QGZVFWFLSA-N 2 2 355.442 2.614 20 30 FFEDLP O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330265970 510950900 /nfs/dbraw/zinc/95/09/00/510950900.db2.gz ZYSWTKFNUMTVKX-QGZVFWFLSA-N 2 2 355.442 2.614 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277371176 510961723 /nfs/dbraw/zinc/96/17/23/510961723.db2.gz XPWYQSYRHPSEOD-QZTJIDSGSA-N 2 2 372.513 2.746 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277371176 510961728 /nfs/dbraw/zinc/96/17/28/510961728.db2.gz XPWYQSYRHPSEOD-QZTJIDSGSA-N 2 2 372.513 2.746 20 30 FFEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575612 510998679 /nfs/dbraw/zinc/99/86/79/510998679.db2.gz JREIKDUNZFWRKW-VAMGGRTRSA-N 2 2 353.514 2.608 20 30 FFEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575612 510998681 /nfs/dbraw/zinc/99/86/81/510998681.db2.gz JREIKDUNZFWRKW-VAMGGRTRSA-N 2 2 353.514 2.608 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000279629792 511152778 /nfs/dbraw/zinc/15/27/78/511152778.db2.gz BOZQAHOLCBMKKH-UHFFFAOYSA-N 2 2 368.525 2.776 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000333320760 511202236 /nfs/dbraw/zinc/20/22/36/511202236.db2.gz PSCCMVZIHLVWKV-NRFANRHFSA-N 2 2 366.509 2.609 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000333320760 511202240 /nfs/dbraw/zinc/20/22/40/511202240.db2.gz PSCCMVZIHLVWKV-NRFANRHFSA-N 2 2 366.509 2.609 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000329612150 512077858 /nfs/dbraw/zinc/07/78/58/512077858.db2.gz ROADPIJRLRCWCU-CQSZACIVSA-N 2 2 367.453 2.778 20 30 FFEDLP C=CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369964069 512702387 /nfs/dbraw/zinc/70/23/87/512702387.db2.gz JWTSYAONEHPBKB-NHCUHLMSSA-N 2 2 355.526 2.973 20 30 FFEDLP C=CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369964069 512702391 /nfs/dbraw/zinc/70/23/91/512702391.db2.gz JWTSYAONEHPBKB-NHCUHLMSSA-N 2 2 355.526 2.973 20 30 FFEDLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000374633302 512928743 /nfs/dbraw/zinc/92/87/43/512928743.db2.gz XPEBIRQLVZQCLU-LJQANCHMSA-N 2 2 352.482 2.614 20 30 FFEDLP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000374633302 512928744 /nfs/dbraw/zinc/92/87/44/512928744.db2.gz XPEBIRQLVZQCLU-LJQANCHMSA-N 2 2 352.482 2.614 20 30 FFEDLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000439593896 513147638 /nfs/dbraw/zinc/14/76/38/513147638.db2.gz HSYJSPFUMDNSRN-BHIYHBOVSA-N 2 2 368.506 2.819 20 30 FFEDLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000439593896 513147642 /nfs/dbraw/zinc/14/76/42/513147642.db2.gz HSYJSPFUMDNSRN-BHIYHBOVSA-N 2 2 368.506 2.819 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C(C)C ZINC000433940733 513192617 /nfs/dbraw/zinc/19/26/17/513192617.db2.gz MIKHBEQFLCJTIV-WOJBJXKFSA-N 2 2 372.513 2.943 20 30 FFEDLP C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421309053 513214195 /nfs/dbraw/zinc/21/41/95/513214195.db2.gz UVWJMGWGLYBEBT-UHFFFAOYSA-N 2 2 372.561 2.728 20 30 FFEDLP C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421309053 513214201 /nfs/dbraw/zinc/21/42/01/513214201.db2.gz UVWJMGWGLYBEBT-UHFFFAOYSA-N 2 2 372.561 2.728 20 30 FFEDLP C[N@H+](CCC#N)C[C@@H](O)Cn1cc[nH+]c1-c1cccc(Br)c1 ZINC000414155939 513993967 /nfs/dbraw/zinc/99/39/67/513993967.db2.gz UGSHEKAGOGUXPY-OAHLLOKOSA-N 2 2 363.259 2.519 20 30 FFEDLP C[N@@H+](CCC#N)C[C@@H](O)Cn1cc[nH+]c1-c1cccc(Br)c1 ZINC000414155939 513993971 /nfs/dbraw/zinc/99/39/71/513993971.db2.gz UGSHEKAGOGUXPY-OAHLLOKOSA-N 2 2 363.259 2.519 20 30 FFEDLP COc1cc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000415126881 514455544 /nfs/dbraw/zinc/45/55/44/514455544.db2.gz HFNYERZCUUGZJY-UHFFFAOYSA-N 3 2 364.493 2.650 20 30 FFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000544347094 516715068 /nfs/dbraw/zinc/71/50/68/516715068.db2.gz FIOSUGOYXLJTID-QFIPXVFZSA-N 2 2 372.476 2.958 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000562772652 517384332 /nfs/dbraw/zinc/38/43/32/517384332.db2.gz QIFCGCNVNVRQRU-UHFFFAOYSA-N 2 2 361.449 2.511 20 30 FFEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000549164615 517430809 /nfs/dbraw/zinc/43/08/09/517430809.db2.gz FPUKVPIFYGCCEB-GOSISDBHSA-N 2 2 362.477 2.553 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866290 517647564 /nfs/dbraw/zinc/64/75/64/517647564.db2.gz YCEKLGRKDLPORD-OCCSQVGLSA-N 2 2 357.845 2.762 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866290 517647570 /nfs/dbraw/zinc/64/75/70/517647570.db2.gz YCEKLGRKDLPORD-OCCSQVGLSA-N 2 2 357.845 2.762 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000550327767 517998592 /nfs/dbraw/zinc/99/85/92/517998592.db2.gz IHUSPEUUIUVPCG-IFMALSPDSA-N 2 2 365.477 2.725 20 30 FFEDLP C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000578870719 518414398 /nfs/dbraw/zinc/41/43/98/518414398.db2.gz AYLOGQXVGJITRR-CYBMUJFWSA-N 2 2 359.474 2.756 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000573709359 518797683 /nfs/dbraw/zinc/79/76/83/518797683.db2.gz VBIALEYZRUAZGS-UHFFFAOYSA-N 2 2 373.476 2.721 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000573709359 518797690 /nfs/dbraw/zinc/79/76/90/518797690.db2.gz VBIALEYZRUAZGS-UHFFFAOYSA-N 2 2 373.476 2.721 20 30 FFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000578125711 519429881 /nfs/dbraw/zinc/42/98/81/519429881.db2.gz ONOYQOJBFDBQLS-RDJZCZTQSA-N 2 2 363.465 2.908 20 30 FFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000578125711 519429885 /nfs/dbraw/zinc/42/98/85/519429885.db2.gz ONOYQOJBFDBQLS-RDJZCZTQSA-N 2 2 363.465 2.908 20 30 FFEDLP C[N@H+](CCCC[NH+]1CCCCC1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000603110050 520083729 /nfs/dbraw/zinc/08/37/29/520083729.db2.gz KQJUGQNFVXDTSC-UHFFFAOYSA-N 2 2 363.527 2.530 20 30 FFEDLP C[N@@H+](CCCC[NH+]1CCCCC1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000603110050 520083751 /nfs/dbraw/zinc/08/37/51/520083751.db2.gz KQJUGQNFVXDTSC-UHFFFAOYSA-N 2 2 363.527 2.530 20 30 FFEDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000594738051 520125187 /nfs/dbraw/zinc/12/51/87/520125187.db2.gz CCAQSPNLSWLXRC-PMACEKPBSA-N 2 2 351.450 2.811 20 30 FFEDLP N#CC1(C[C@@H](O)C[NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CCOCC1 ZINC000600736150 520435210 /nfs/dbraw/zinc/43/52/10/520435210.db2.gz QPOHEECXBKCNTK-LJQANCHMSA-N 2 2 363.546 2.694 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508847 520519941 /nfs/dbraw/zinc/51/99/41/520519941.db2.gz YRPZZKQUFZOOGB-UTKZUKDTSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508847 520519946 /nfs/dbraw/zinc/51/99/46/520519946.db2.gz YRPZZKQUFZOOGB-UTKZUKDTSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595508847 520519952 /nfs/dbraw/zinc/51/99/52/520519952.db2.gz YRPZZKQUFZOOGB-UTKZUKDTSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595508847 520519957 /nfs/dbraw/zinc/51/99/57/520519957.db2.gz YRPZZKQUFZOOGB-UTKZUKDTSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595610256 520590450 /nfs/dbraw/zinc/59/04/50/520590450.db2.gz UZNALHKWMOUUNQ-MOPGFXCFSA-N 2 2 354.498 2.517 20 30 FFEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595610256 520590455 /nfs/dbraw/zinc/59/04/55/520590455.db2.gz UZNALHKWMOUUNQ-MOPGFXCFSA-N 2 2 354.498 2.517 20 30 FFEDLP C=CCCSCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000595726726 520674160 /nfs/dbraw/zinc/67/41/60/520674160.db2.gz YZTHIANWVKGKMQ-UHFFFAOYSA-N 2 2 368.591 2.545 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnnn3-c3ccccc3)CC2)c1 ZINC000593691923 521159770 /nfs/dbraw/zinc/15/97/70/521159770.db2.gz VTYUZBIKGSNSNA-UHFFFAOYSA-N 2 2 372.476 2.893 20 30 FFEDLP C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637620354 523742675 /nfs/dbraw/zinc/74/26/75/523742675.db2.gz BXXBZFPQVJWCFA-SFHVURJKSA-N 2 2 350.551 2.789 20 30 FFEDLP C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637620354 523742680 /nfs/dbraw/zinc/74/26/80/523742680.db2.gz BXXBZFPQVJWCFA-SFHVURJKSA-N 2 2 350.551 2.789 20 30 FFEDLP C[C@H](NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1Cl ZINC000262503879 729667484 /nfs/dbraw/zinc/66/74/84/729667484.db2.gz AUFIMXXZICBVIZ-JTQLQIEISA-N 2 2 369.300 2.958 20 30 FFEDLP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000924957712 738465729 /nfs/dbraw/zinc/46/57/29/738465729.db2.gz NCIVFICXKKXYAT-HZPDHXFCSA-N 2 2 352.523 2.846 20 30 FFEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000780554985 738555230 /nfs/dbraw/zinc/55/52/30/738555230.db2.gz KYGXHEJUUHKWSJ-UHFFFAOYSA-N 2 2 355.873 2.648 20 30 FFEDLP N#Cc1ccc([C@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000819055666 742330979 /nfs/dbraw/zinc/33/09/79/742330979.db2.gz HJEBMIXQIDUIQJ-LJQANCHMSA-N 2 2 359.539 2.933 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040403510 743003023 /nfs/dbraw/zinc/00/30/23/743003023.db2.gz PHOGFFGZBVCXEO-GPMSIDNRSA-N 2 2 362.905 2.591 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040403510 743003034 /nfs/dbraw/zinc/00/30/34/743003034.db2.gz PHOGFFGZBVCXEO-GPMSIDNRSA-N 2 2 362.905 2.591 20 30 FFEDLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000850384316 749356980 /nfs/dbraw/zinc/35/69/80/749356980.db2.gz QSRMVKRXOZDSPK-UHFFFAOYSA-N 2 2 356.495 2.872 20 30 FFEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001104793522 970836074 /nfs/dbraw/zinc/83/60/74/970836074.db2.gz ACCRWCPRDCBHSC-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000969687476 959764088 /nfs/dbraw/zinc/76/40/88/959764088.db2.gz CHOKLEVZZUNGAV-ZHALLVOQSA-N 2 2 356.514 2.557 20 30 FFEDLP CC[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])[NH+]1CCCC1 ZINC000121465025 964417103 /nfs/dbraw/zinc/41/71/03/964417103.db2.gz YSTPITHOFRFOMW-OAHLLOKOSA-N 2 2 367.497 2.521 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087469722 965302421 /nfs/dbraw/zinc/30/24/21/965302421.db2.gz SUFDCCKFZDWTJI-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087469722 965302437 /nfs/dbraw/zinc/30/24/37/965302437.db2.gz SUFDCCKFZDWTJI-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001211613381 967995490 /nfs/dbraw/zinc/99/54/90/967995490.db2.gz LJDCLJGELHSNRV-VQTJNVASSA-N 2 2 352.482 2.893 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211613381 967995498 /nfs/dbraw/zinc/99/54/98/967995498.db2.gz LJDCLJGELHSNRV-VQTJNVASSA-N 2 2 352.482 2.893 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734590 969356088 /nfs/dbraw/zinc/35/60/88/969356088.db2.gz ZUPWJDITVRXKST-YZGWKJHDSA-N 2 2 352.482 2.822 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088128760 972971391 /nfs/dbraw/zinc/97/13/91/972971391.db2.gz GVONIZHLBCJSDW-SJORKVTESA-N 2 2 364.921 2.929 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088128760 972971401 /nfs/dbraw/zinc/97/14/01/972971401.db2.gz GVONIZHLBCJSDW-SJORKVTESA-N 2 2 364.921 2.929 20 30 FFEDLP C=CC[C@]1(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000662745723 973913124 /nfs/dbraw/zinc/91/31/24/973913124.db2.gz WHBHOLWLOHVCSS-OAQYLSRUSA-N 2 2 356.514 2.845 20 30 FFEDLP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000961411420 1014182833 /nfs/dbraw/zinc/18/28/33/1014182833.db2.gz NHVZGVVJKPRTFA-GUDVDZBRSA-N 2 2 356.514 2.660 20 30 FFEDLP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000961411420 1014182839 /nfs/dbraw/zinc/18/28/39/1014182839.db2.gz NHVZGVVJKPRTFA-GUDVDZBRSA-N 2 2 356.514 2.660 20 30 FFEDLP C#CCN(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)C1CC[NH+](C)CC1 ZINC000923810245 976364598 /nfs/dbraw/zinc/36/45/98/976364598.db2.gz JRXGNTKNMXNHQZ-IYARVYRRSA-N 2 2 369.513 2.544 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088823184 977196767 /nfs/dbraw/zinc/19/67/67/977196767.db2.gz ZJZGPUWOLTWRAQ-BEFAXECRSA-N 2 2 366.465 2.606 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088823184 977196773 /nfs/dbraw/zinc/19/67/73/977196773.db2.gz ZJZGPUWOLTWRAQ-BEFAXECRSA-N 2 2 366.465 2.606 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001087444062 977597145 /nfs/dbraw/zinc/59/71/45/977597145.db2.gz VPUJFMARTOSCMT-VSKRKVRLSA-N 2 2 367.537 2.858 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001087444062 977597155 /nfs/dbraw/zinc/59/71/55/977597155.db2.gz VPUJFMARTOSCMT-VSKRKVRLSA-N 2 2 367.537 2.858 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001087444062 977597160 /nfs/dbraw/zinc/59/71/60/977597160.db2.gz VPUJFMARTOSCMT-VSKRKVRLSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(CCC)cc2)[C@@H]1C ZINC001088631359 982036436 /nfs/dbraw/zinc/03/64/36/982036436.db2.gz HASUMZGOSWFXGC-COPCDDAFSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(CCC)cc2)[C@@H]1C ZINC001088631359 982036445 /nfs/dbraw/zinc/03/64/45/982036445.db2.gz HASUMZGOSWFXGC-COPCDDAFSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CCC)cc2)[C@@H]1C ZINC001088631359 982036448 /nfs/dbraw/zinc/03/64/48/982036448.db2.gz HASUMZGOSWFXGC-COPCDDAFSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CCC)cc2)[C@@H]1C ZINC001088631359 982036459 /nfs/dbraw/zinc/03/64/59/982036459.db2.gz HASUMZGOSWFXGC-COPCDDAFSA-N 2 2 367.537 2.816 20 30 FFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000651701246 1015334873 /nfs/dbraw/zinc/33/48/73/1015334873.db2.gz KBUQTRPVVCIBAE-CEXWTWQISA-N 2 2 371.529 2.616 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000918758500 990490178 /nfs/dbraw/zinc/49/01/78/990490178.db2.gz XMPDGMITPTWGPF-UHFFFAOYSA-N 2 2 367.537 2.799 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1ccccc1F ZINC001079300535 991957066 /nfs/dbraw/zinc/95/70/66/991957066.db2.gz NDAMKLYXDRFUPR-PKOBYXMFSA-N 2 2 370.472 2.836 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1c1ccccc1F ZINC001079302885 991960339 /nfs/dbraw/zinc/96/03/39/991960339.db2.gz PGVCXXFEAWUBMM-FUHWJXTLSA-N 2 2 364.424 2.857 20 30 FFEDLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084488332 996608236 /nfs/dbraw/zinc/60/82/36/996608236.db2.gz XRURNKKVMWEHKR-IFMALSPDSA-N 2 2 370.456 2.532 20 30 FFEDLP O=C(c1ccn2c[nH+]cc2c1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084488332 996608238 /nfs/dbraw/zinc/60/82/38/996608238.db2.gz XRURNKKVMWEHKR-IFMALSPDSA-N 2 2 370.456 2.532 20 30 FFEDLP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084521986 996642095 /nfs/dbraw/zinc/64/20/95/996642095.db2.gz DQOXLUMVQVUJLO-DENIHFKCSA-N 2 2 370.456 2.532 20 30 FFEDLP O=C(c1ccc2c[nH+]cn2c1)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084521986 996642096 /nfs/dbraw/zinc/64/20/96/996642096.db2.gz DQOXLUMVQVUJLO-DENIHFKCSA-N 2 2 370.456 2.532 20 30 FFEDLP C#Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)cc1 ZINC001144568076 998658887 /nfs/dbraw/zinc/65/88/87/998658887.db2.gz KFFCNLMVNLTYKA-UHFFFAOYSA-N 2 2 354.494 2.907 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001109462075 1000507261 /nfs/dbraw/zinc/50/72/61/1000507261.db2.gz AHWPEXLZCXITFF-HNJRGHQBSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001109462075 1000507266 /nfs/dbraw/zinc/50/72/66/1000507266.db2.gz AHWPEXLZCXITFF-HNJRGHQBSA-N 2 2 356.514 2.913 20 30 FFEDLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001110016186 1001309217 /nfs/dbraw/zinc/30/92/17/1001309217.db2.gz BXRNPCIZJIHKOO-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001110016186 1001309223 /nfs/dbraw/zinc/30/92/23/1001309223.db2.gz BXRNPCIZJIHKOO-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110016186 1001309227 /nfs/dbraw/zinc/30/92/27/1001309227.db2.gz BXRNPCIZJIHKOO-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110016186 1001309235 /nfs/dbraw/zinc/30/92/35/1001309235.db2.gz BXRNPCIZJIHKOO-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@]2(C)C1 ZINC001092097623 1002404170 /nfs/dbraw/zinc/40/41/70/1002404170.db2.gz CNIFHHBJPZDFFV-GCJKJVERSA-N 2 2 366.509 2.932 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@]2(C)C1 ZINC001092097623 1002404176 /nfs/dbraw/zinc/40/41/76/1002404176.db2.gz CNIFHHBJPZDFFV-GCJKJVERSA-N 2 2 366.509 2.932 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086619847 1003552845 /nfs/dbraw/zinc/55/28/45/1003552845.db2.gz LHQYTDXFDIZVIR-YTQUADARSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001086619847 1003552851 /nfs/dbraw/zinc/55/28/51/1003552851.db2.gz LHQYTDXFDIZVIR-YTQUADARSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001086619847 1003552860 /nfs/dbraw/zinc/55/28/60/1003552860.db2.gz LHQYTDXFDIZVIR-YTQUADARSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001086619847 1003552872 /nfs/dbraw/zinc/55/28/72/1003552872.db2.gz LHQYTDXFDIZVIR-YTQUADARSA-N 2 2 361.917 2.665 20 30 FFEDLP CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000121532944 1004956372 /nfs/dbraw/zinc/95/63/72/1004956372.db2.gz WFPUKPAKUSIBNI-OAHLLOKOSA-N 2 2 370.409 2.671 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1O ZINC000883290719 1006735674 /nfs/dbraw/zinc/73/56/74/1006735674.db2.gz DREGUISZRXFUFC-MRXNPFEDSA-N 2 2 350.466 2.866 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000104173563 1009931592 /nfs/dbraw/zinc/93/15/92/1009931592.db2.gz UYXCPTKNXQUKEA-ZDUSSCGKSA-N 2 2 374.510 2.939 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000104173563 1009931599 /nfs/dbraw/zinc/93/15/99/1009931599.db2.gz UYXCPTKNXQUKEA-ZDUSSCGKSA-N 2 2 374.510 2.939 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001095405937 1010455014 /nfs/dbraw/zinc/45/50/14/1010455014.db2.gz FSXPKSMWVYHWKP-CLAROIROSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001095405937 1010455018 /nfs/dbraw/zinc/45/50/18/1010455018.db2.gz FSXPKSMWVYHWKP-CLAROIROSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095405937 1010455023 /nfs/dbraw/zinc/45/50/23/1010455023.db2.gz FSXPKSMWVYHWKP-CLAROIROSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095405937 1010455028 /nfs/dbraw/zinc/45/50/28/1010455028.db2.gz FSXPKSMWVYHWKP-CLAROIROSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001095406160 1010455473 /nfs/dbraw/zinc/45/54/73/1010455473.db2.gz OJSDHPQQGRGRST-FCLVOEFKSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001095406160 1010455482 /nfs/dbraw/zinc/45/54/82/1010455482.db2.gz OJSDHPQQGRGRST-FCLVOEFKSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001095406160 1010455488 /nfs/dbraw/zinc/45/54/88/1010455488.db2.gz OJSDHPQQGRGRST-FCLVOEFKSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001095406160 1010455493 /nfs/dbraw/zinc/45/54/93/1010455493.db2.gz OJSDHPQQGRGRST-FCLVOEFKSA-N 2 2 372.538 2.714 20 30 FFEDLP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866274507 1010967860 /nfs/dbraw/zinc/96/78/60/1010967860.db2.gz MUIWNPHMGNJBEV-KRWDZBQOSA-N 2 2 356.514 2.865 20 30 FFEDLP C#C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001171572426 1011386488 /nfs/dbraw/zinc/38/64/88/1011386488.db2.gz IMPGZSOFVHBVSK-FQEVSTJZSA-N 2 2 367.537 2.799 20 30 FFEDLP C#C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001171572426 1011386497 /nfs/dbraw/zinc/38/64/97/1011386497.db2.gz IMPGZSOFVHBVSK-FQEVSTJZSA-N 2 2 367.537 2.799 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C[C@H]1C#N ZINC001172992311 1012197635 /nfs/dbraw/zinc/19/76/35/1012197635.db2.gz VNZBHVVCDDSJQH-PMPSAXMXSA-N 2 2 359.474 2.814 20 30 FFEDLP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001071073661 1020178738 /nfs/dbraw/zinc/17/87/38/1020178738.db2.gz OGPLNTJRNDFJHS-QUCCMNQESA-N 2 2 357.498 2.792 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900605319 1020539970 /nfs/dbraw/zinc/53/99/70/1020539970.db2.gz IWXQVMVWSFTZCJ-UHFFFAOYSA-N 2 2 367.497 2.766 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099098127 1021788545 /nfs/dbraw/zinc/78/85/45/1021788545.db2.gz UBLRDBZKWXLXFY-LPHOPBHVSA-N 2 2 371.872 2.604 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001099098127 1021788548 /nfs/dbraw/zinc/78/85/48/1021788548.db2.gz UBLRDBZKWXLXFY-LPHOPBHVSA-N 2 2 371.872 2.604 20 30 FFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111222002 1022465055 /nfs/dbraw/zinc/46/50/55/1022465055.db2.gz KOJRYVSBYJRIEN-LMMKCTJWSA-N 2 2 351.454 2.569 20 30 FFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111222002 1022465063 /nfs/dbraw/zinc/46/50/63/1022465063.db2.gz KOJRYVSBYJRIEN-LMMKCTJWSA-N 2 2 351.454 2.569 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3cccc(F)c3)CC2)c1 ZINC001120590007 1023374064 /nfs/dbraw/zinc/37/40/64/1023374064.db2.gz JTDVCAHRHDGHAV-OAQYLSRUSA-N 2 2 353.441 2.985 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105464 1025431978 /nfs/dbraw/zinc/43/19/78/1025431978.db2.gz RNIMPSNXVWXFRI-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105464 1025431986 /nfs/dbraw/zinc/43/19/86/1025431986.db2.gz RNIMPSNXVWXFRI-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160948741 1027938289 /nfs/dbraw/zinc/93/82/89/1027938289.db2.gz OUOHQGXELPIPFP-OAOOKAIFSA-N 2 2 374.488 2.600 20 30 FFEDLP N#Cc1c(Cl)c2cc(F)c(F)cc2nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161872449 1028341966 /nfs/dbraw/zinc/34/19/66/1028341966.db2.gz BVCZKRCVMNNFJW-UHFFFAOYSA-N 2 2 365.815 2.873 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001112423699 1030785764 /nfs/dbraw/zinc/78/57/64/1030785764.db2.gz DWQJBXLXPRSIPX-LPHOPBHVSA-N 2 2 364.921 2.897 20 30 FFEDLP N#Cc1ccc2c(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001142916688 1031050498 /nfs/dbraw/zinc/05/04/98/1031050498.db2.gz XIGPHSPWYUZTQA-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2c(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001142916688 1031050509 /nfs/dbraw/zinc/05/05/09/1031050509.db2.gz XIGPHSPWYUZTQA-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2c(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001142916688 1031050515 /nfs/dbraw/zinc/05/05/15/1031050515.db2.gz XIGPHSPWYUZTQA-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2c(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001142916688 1031050522 /nfs/dbraw/zinc/05/05/22/1031050522.db2.gz XIGPHSPWYUZTQA-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000799174112 1031679510 /nfs/dbraw/zinc/67/95/10/1031679510.db2.gz ANUSEUOSZYXDNE-QGZVFWFLSA-N 2 2 363.465 2.641 20 30 FFEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000799174112 1031679517 /nfs/dbraw/zinc/67/95/17/1031679517.db2.gz ANUSEUOSZYXDNE-QGZVFWFLSA-N 2 2 363.465 2.641 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001205657680 1031910765 /nfs/dbraw/zinc/91/07/65/1031910765.db2.gz JTYIXPRNMZOLDW-PKOBYXMFSA-N 2 2 356.445 2.642 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001221819698 1035092030 /nfs/dbraw/zinc/09/20/30/1035092030.db2.gz GGWYUXGLWZZLCY-SOAMZJECSA-N 2 2 356.514 2.803 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001221819698 1035092034 /nfs/dbraw/zinc/09/20/34/1035092034.db2.gz GGWYUXGLWZZLCY-SOAMZJECSA-N 2 2 356.514 2.803 20 30 FFEDLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043073 1036286430 /nfs/dbraw/zinc/28/64/30/1036286430.db2.gz CQIDTJFFQULFOB-QGZVFWFLSA-N 2 2 354.454 2.735 20 30 FFEDLP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043073 1036286435 /nfs/dbraw/zinc/28/64/35/1036286435.db2.gz CQIDTJFFQULFOB-QGZVFWFLSA-N 2 2 354.454 2.735 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001228868439 1036373233 /nfs/dbraw/zinc/37/32/33/1036373233.db2.gz CMMVLYRJKGSQFJ-RTBURBONSA-N 2 2 363.546 2.615 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(O)c1 ZINC001233385784 1036588863 /nfs/dbraw/zinc/58/88/63/1036588863.db2.gz TYOPVEFXLITZDU-UHFFFAOYSA-N 2 2 365.481 2.505 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(O)c1 ZINC001233385784 1036588872 /nfs/dbraw/zinc/58/88/72/1036588872.db2.gz TYOPVEFXLITZDU-UHFFFAOYSA-N 2 2 365.481 2.505 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](C[C@@H]4CCCC[NH2+]4)C3)C2)c1 ZINC001235635248 1037654123 /nfs/dbraw/zinc/65/41/23/1037654123.db2.gz HMEONLWEVQSJAY-RBBKRZOGSA-N 2 2 368.525 2.619 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](C[C@@H]4CCCC[NH2+]4)C3)C2)c1 ZINC001235635248 1037654130 /nfs/dbraw/zinc/65/41/30/1037654130.db2.gz HMEONLWEVQSJAY-RBBKRZOGSA-N 2 2 368.525 2.619 20 30 FFEDLP C#CCCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528682 1038546366 /nfs/dbraw/zinc/54/63/66/1038546366.db2.gz JMONPJFOWWGIMI-TYPHKJRUSA-N 2 2 353.510 2.643 20 30 FFEDLP C#CCCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC001256528682 1038546370 /nfs/dbraw/zinc/54/63/70/1038546370.db2.gz JMONPJFOWWGIMI-TYPHKJRUSA-N 2 2 353.510 2.643 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001208861839 1038559890 /nfs/dbraw/zinc/55/98/90/1038559890.db2.gz QBACXJCLOSAZFS-YADHBBJMSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001208861839 1038559894 /nfs/dbraw/zinc/55/98/94/1038559894.db2.gz QBACXJCLOSAZFS-YADHBBJMSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001208861839 1038559901 /nfs/dbraw/zinc/55/99/01/1038559901.db2.gz QBACXJCLOSAZFS-YADHBBJMSA-N 2 2 363.509 2.678 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCc4ccc(C#N)cc4)C[C@H]3C2)cn1 ZINC001208861839 1038559904 /nfs/dbraw/zinc/55/99/04/1038559904.db2.gz QBACXJCLOSAZFS-YADHBBJMSA-N 2 2 363.509 2.678 20 30 FFEDLP N#Cc1ccnc(N2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208948722 1038600981 /nfs/dbraw/zinc/60/09/81/1038600981.db2.gz HXSADIAWNKYTKY-OAQYLSRUSA-N 2 2 361.493 2.597 20 30 FFEDLP N#Cc1ccnc(N2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208948722 1038600984 /nfs/dbraw/zinc/60/09/84/1038600984.db2.gz HXSADIAWNKYTKY-OAQYLSRUSA-N 2 2 361.493 2.597 20 30 FFEDLP C=CCCCCC[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001209423318 1038852890 /nfs/dbraw/zinc/85/28/90/1038852890.db2.gz RZIOPSVBPQFXLA-LJQANCHMSA-N 2 2 361.534 2.573 20 30 FFEDLP C=CCCCCC[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001209423318 1038852904 /nfs/dbraw/zinc/85/29/04/1038852904.db2.gz RZIOPSVBPQFXLA-LJQANCHMSA-N 2 2 361.534 2.573 20 30 FFEDLP CCCCCCCC[C@H](O)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001252126169 1039439651 /nfs/dbraw/zinc/43/96/51/1039439651.db2.gz MFBQUPNLETYOFW-SFHVURJKSA-N 2 2 374.533 2.840 20 30 FFEDLP CCCCCCCC[C@H](O)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001252126169 1039439657 /nfs/dbraw/zinc/43/96/57/1039439657.db2.gz MFBQUPNLETYOFW-SFHVURJKSA-N 2 2 374.533 2.840 20 30 FFEDLP C=C[C@@](C)(O)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252550713 1039595054 /nfs/dbraw/zinc/59/50/54/1039595054.db2.gz NYLFMJGJMIACPJ-QZTJIDSGSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@@](C)(O)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252550713 1039595066 /nfs/dbraw/zinc/59/50/66/1039595066.db2.gz NYLFMJGJMIACPJ-QZTJIDSGSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@@](C)(O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001252550713 1039595074 /nfs/dbraw/zinc/59/50/74/1039595074.db2.gz NYLFMJGJMIACPJ-QZTJIDSGSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@@](C)(O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001252550713 1039595081 /nfs/dbraw/zinc/59/50/81/1039595081.db2.gz NYLFMJGJMIACPJ-QZTJIDSGSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@](C)(O)C[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001252575936 1039600702 /nfs/dbraw/zinc/60/07/02/1039600702.db2.gz FXXYWOACTXSIOH-VXKWHMMOSA-N 2 2 354.494 2.576 20 30 FFEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001253238564 1040062943 /nfs/dbraw/zinc/06/29/43/1040062943.db2.gz SGIFNYMOQVQRNW-SFHVURJKSA-N 2 2 372.517 2.616 20 30 FFEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001253238564 1040062950 /nfs/dbraw/zinc/06/29/50/1040062950.db2.gz SGIFNYMOQVQRNW-SFHVURJKSA-N 2 2 372.517 2.616 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](OC)C1 ZINC001213665385 1040774650 /nfs/dbraw/zinc/77/46/50/1040774650.db2.gz NYZMGXFENXWSHM-PWIZWCRZSA-N 2 2 368.481 2.656 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](OC)C1 ZINC001213665385 1040774660 /nfs/dbraw/zinc/77/46/60/1040774660.db2.gz NYZMGXFENXWSHM-PWIZWCRZSA-N 2 2 368.481 2.656 20 30 FFEDLP N#Cc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1F ZINC001249679040 1040936373 /nfs/dbraw/zinc/93/63/73/1040936373.db2.gz OEZNIBMWVBAQLM-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP N#Cc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1F ZINC001249679040 1040936386 /nfs/dbraw/zinc/93/63/86/1040936386.db2.gz OEZNIBMWVBAQLM-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001215226321 1041706835 /nfs/dbraw/zinc/70/68/35/1041706835.db2.gz IVTLUDIJZIFGBI-AQNXPRMDSA-N 2 2 365.562 2.670 20 30 FFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001215226321 1041706842 /nfs/dbraw/zinc/70/68/42/1041706842.db2.gz IVTLUDIJZIFGBI-AQNXPRMDSA-N 2 2 365.562 2.670 20 30 FFEDLP C#CCCC[N@@H+]1Cc2ccccc2C2(CC[NH+](COCCOC)CC2)C1 ZINC001279238781 1042961069 /nfs/dbraw/zinc/96/10/69/1042961069.db2.gz JPXDUIJBOKYUSI-UHFFFAOYSA-N 2 2 356.510 2.870 20 30 FFEDLP C#CCCC[N@H+]1Cc2ccccc2C2(CC[NH+](COCCOC)CC2)C1 ZINC001279238781 1042961076 /nfs/dbraw/zinc/96/10/76/1042961076.db2.gz JPXDUIJBOKYUSI-UHFFFAOYSA-N 2 2 356.510 2.870 20 30 FFEDLP N#Cc1cc[nH]c1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(=O)[nH]3)(C1)CCC2 ZINC001279688312 1043469040 /nfs/dbraw/zinc/46/90/40/1043469040.db2.gz PDRLQJZGVSWZBX-UXHICEINSA-N 2 2 351.454 2.712 20 30 FFEDLP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)ns1 ZINC001279750931 1043586564 /nfs/dbraw/zinc/58/65/64/1043586564.db2.gz IBVNRNRLZVEBFO-UHFFFAOYSA-N 2 2 355.511 2.760 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001316738202 1044879328 /nfs/dbraw/zinc/87/93/28/1044879328.db2.gz DUXWNGPWXBRRAZ-FFZOFVMBSA-N 2 2 365.481 2.875 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001316738202 1044879348 /nfs/dbraw/zinc/87/93/48/1044879348.db2.gz DUXWNGPWXBRRAZ-FFZOFVMBSA-N 2 2 365.481 2.875 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C)[NH+](CC)CC ZINC001316793587 1044994187 /nfs/dbraw/zinc/99/41/87/1044994187.db2.gz ZVNNBFITLWJSDK-UXPWSPDFSA-N 2 2 356.514 2.758 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C)[NH+](CC)CC ZINC001316793587 1044994200 /nfs/dbraw/zinc/99/42/00/1044994200.db2.gz ZVNNBFITLWJSDK-UXPWSPDFSA-N 2 2 356.514 2.758 20 30 FFEDLP C#C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC001329238420 1048629275 /nfs/dbraw/zinc/62/92/75/1048629275.db2.gz AWLLTAUVNLOFJI-FQEVSTJZSA-N 2 2 368.525 2.610 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001340296634 1050697280 /nfs/dbraw/zinc/69/72/80/1050697280.db2.gz GAFIBOKBSGLRSG-GOSISDBHSA-N 2 2 372.561 2.761 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001340296634 1050697285 /nfs/dbraw/zinc/69/72/85/1050697285.db2.gz GAFIBOKBSGLRSG-GOSISDBHSA-N 2 2 372.561 2.761 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001342226018 1050816506 /nfs/dbraw/zinc/81/65/06/1050816506.db2.gz TZXJXVHIGGZVSZ-KRWDZBQOSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001523795880 1062628455 /nfs/dbraw/zinc/62/84/55/1062628455.db2.gz GRFCBMUIYLVLTI-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001523795880 1062628464 /nfs/dbraw/zinc/62/84/64/1062628464.db2.gz GRFCBMUIYLVLTI-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP C=C(C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1Cc1c[nH+]ccc1OC ZINC001574836810 1078087318 /nfs/dbraw/zinc/08/73/18/1078087318.db2.gz ULOFSTDDJNMVLR-INIZCTEOSA-N 2 2 356.474 2.557 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001575047941 1078100628 /nfs/dbraw/zinc/10/06/28/1078100628.db2.gz GHIJGFQBCZNJFK-GUXCAODWSA-N 2 2 358.461 2.522 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001575047941 1078100630 /nfs/dbraw/zinc/10/06/30/1078100630.db2.gz GHIJGFQBCZNJFK-GUXCAODWSA-N 2 2 358.461 2.522 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)s1 ZINC001474185256 1065467242 /nfs/dbraw/zinc/46/72/42/1065467242.db2.gz PDYUXQWAMYHDQO-UHFFFAOYSA-N 2 2 357.479 2.621 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC001565921066 1076803450 /nfs/dbraw/zinc/80/34/50/1076803450.db2.gz XZOBJOQOICGDHP-VQTJNVASSA-N 2 2 365.481 2.610 20 30 FFEDLP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001571271079 1077245145 /nfs/dbraw/zinc/24/51/45/1077245145.db2.gz PYTKIQBDZOSRDT-IAOVAPTHSA-N 2 2 369.444 2.599 20 30 FFEDLP C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571271079 1077245148 /nfs/dbraw/zinc/24/51/48/1077245148.db2.gz PYTKIQBDZOSRDT-IAOVAPTHSA-N 2 2 369.444 2.599 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000278549509 256324328 /nfs/dbraw/zinc/32/43/28/256324328.db2.gz VSIHZARJCDDFRT-UHFFFAOYSA-N 3 2 352.526 2.987 20 30 FFEDLP N#CCCN(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000075835967 508137146 /nfs/dbraw/zinc/13/71/46/508137146.db2.gz KVHQVQCDLCODBY-LJQANCHMSA-N 2 2 354.498 2.741 20 30 FFEDLP N#CCCN(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000075835967 508137149 /nfs/dbraw/zinc/13/71/49/508137149.db2.gz KVHQVQCDLCODBY-LJQANCHMSA-N 2 2 354.498 2.741 20 30 FFEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000077249576 508292144 /nfs/dbraw/zinc/29/21/44/508292144.db2.gz WKTAFLGZPDBYPQ-UHFFFAOYSA-N 2 2 356.514 2.966 20 30 FFEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000077249576 508292147 /nfs/dbraw/zinc/29/21/47/508292147.db2.gz WKTAFLGZPDBYPQ-UHFFFAOYSA-N 2 2 356.514 2.966 20 30 FFEDLP C=CC[NH+]1CCC(Nc2nc(NC3CC[NH+](CC=C)CC3)c(C)c[nH+]2)CC1 ZINC000085684784 508315142 /nfs/dbraw/zinc/31/51/42/508315142.db2.gz HTGAWFKIRXMARZ-UHFFFAOYSA-N 3 2 370.545 2.910 20 30 FFEDLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000116393596 508506691 /nfs/dbraw/zinc/50/66/91/508506691.db2.gz MHXOSFKZDOZEMN-KKSFZXQISA-N 2 2 362.477 2.900 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000157592114 508584856 /nfs/dbraw/zinc/58/48/56/508584856.db2.gz WUKMHWUPVUBKLV-QZTJIDSGSA-N 2 2 356.514 2.557 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000123809493 508741864 /nfs/dbraw/zinc/74/18/64/508741864.db2.gz WNAOYIDBTSCTIG-CQSZACIVSA-N 2 2 371.872 2.838 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000123809493 508741870 /nfs/dbraw/zinc/74/18/70/508741870.db2.gz WNAOYIDBTSCTIG-CQSZACIVSA-N 2 2 371.872 2.838 20 30 FFEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377718363 512417191 /nfs/dbraw/zinc/41/71/91/512417191.db2.gz FZZWCGWUPVNNCF-AWEZNQCLSA-N 2 2 360.255 2.831 20 30 FFEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377718363 512417196 /nfs/dbraw/zinc/41/71/96/512417196.db2.gz FZZWCGWUPVNNCF-AWEZNQCLSA-N 2 2 360.255 2.831 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139877743 508795863 /nfs/dbraw/zinc/79/58/63/508795863.db2.gz BTIGBIDKNFPKEQ-JCKWVBRZSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139877743 508795865 /nfs/dbraw/zinc/79/58/65/508795865.db2.gz BTIGBIDKNFPKEQ-JCKWVBRZSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139877743 508795868 /nfs/dbraw/zinc/79/58/68/508795868.db2.gz BTIGBIDKNFPKEQ-JCKWVBRZSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139877743 508795872 /nfs/dbraw/zinc/79/58/72/508795872.db2.gz BTIGBIDKNFPKEQ-JCKWVBRZSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139909574 508797068 /nfs/dbraw/zinc/79/70/68/508797068.db2.gz KXOAJWXUSVVUAV-NLWGTHIKSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139909574 508797071 /nfs/dbraw/zinc/79/70/71/508797071.db2.gz KXOAJWXUSVVUAV-NLWGTHIKSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139909574 508797073 /nfs/dbraw/zinc/79/70/73/508797073.db2.gz KXOAJWXUSVVUAV-NLWGTHIKSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139909574 508797076 /nfs/dbraw/zinc/79/70/76/508797076.db2.gz KXOAJWXUSVVUAV-NLWGTHIKSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C#N)Oc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000377721728 512418907 /nfs/dbraw/zinc/41/89/07/512418907.db2.gz UJWQCRDSIHFVGE-OKCRPCIYSA-N 2 2 368.525 2.720 20 30 FFEDLP C[C@H](C#N)Oc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000377721728 512418909 /nfs/dbraw/zinc/41/89/09/512418909.db2.gz UJWQCRDSIHFVGE-OKCRPCIYSA-N 2 2 368.525 2.720 20 30 FFEDLP Cc1cc(C#N)ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000125914503 509044250 /nfs/dbraw/zinc/04/42/50/509044250.db2.gz QWHWPYMDWHHUKL-UHFFFAOYSA-N 2 2 354.498 2.547 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266884118 509240842 /nfs/dbraw/zinc/24/08/42/509240842.db2.gz AYRYMZVGCYWXJF-IAGOWNOFSA-N 2 2 351.454 2.924 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266884118 509240850 /nfs/dbraw/zinc/24/08/50/509240850.db2.gz AYRYMZVGCYWXJF-IAGOWNOFSA-N 2 2 351.454 2.924 20 30 FFEDLP CSc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000267002697 509302116 /nfs/dbraw/zinc/30/21/16/509302116.db2.gz IFPSILJSNFHZHB-UHFFFAOYSA-N 2 2 372.494 2.746 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000173527863 509642281 /nfs/dbraw/zinc/64/22/81/509642281.db2.gz HFNSTHLZMMRSLP-MJGOQNOKSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000173527863 509642287 /nfs/dbraw/zinc/64/22/87/509642287.db2.gz HFNSTHLZMMRSLP-MJGOQNOKSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000173527863 509642292 /nfs/dbraw/zinc/64/22/92/509642292.db2.gz HFNSTHLZMMRSLP-MJGOQNOKSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000173527863 509642297 /nfs/dbraw/zinc/64/22/97/509642297.db2.gz HFNSTHLZMMRSLP-MJGOQNOKSA-N 2 2 356.514 2.965 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000176956110 509783206 /nfs/dbraw/zinc/78/32/06/509783206.db2.gz KRXPORAWKBEMNG-UHFFFAOYSA-N 2 2 357.479 2.621 20 30 FFEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000173911948 509849964 /nfs/dbraw/zinc/84/99/64/509849964.db2.gz DFUMYIQMTUOCAZ-RBUKOAKNSA-N 2 2 356.514 2.904 20 30 FFEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000173911948 509849974 /nfs/dbraw/zinc/84/99/74/509849974.db2.gz DFUMYIQMTUOCAZ-RBUKOAKNSA-N 2 2 356.514 2.904 20 30 FFEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000173911948 509849981 /nfs/dbraw/zinc/84/99/81/509849981.db2.gz DFUMYIQMTUOCAZ-RBUKOAKNSA-N 2 2 356.514 2.904 20 30 FFEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000173911948 509849988 /nfs/dbraw/zinc/84/99/88/509849988.db2.gz DFUMYIQMTUOCAZ-RBUKOAKNSA-N 2 2 356.514 2.904 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268872324 510110748 /nfs/dbraw/zinc/11/07/48/510110748.db2.gz KSMNJFGNLNONJD-CYBMUJFWSA-N 2 2 358.454 2.984 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(NC(N)=O)cc3)CC2)cc1 ZINC000181457554 510420682 /nfs/dbraw/zinc/42/06/82/510420682.db2.gz WFFJRNAWIOZFQJ-UHFFFAOYSA-N 2 2 363.465 2.803 20 30 FFEDLP Cc1nnccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000330085677 510913511 /nfs/dbraw/zinc/91/35/11/510913511.db2.gz CZNYHLMCSVMAND-MOPGFXCFSA-N 2 2 374.533 2.600 20 30 FFEDLP Cc1nnccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000330085677 510913517 /nfs/dbraw/zinc/91/35/17/510913517.db2.gz CZNYHLMCSVMAND-MOPGFXCFSA-N 2 2 374.533 2.600 20 30 FFEDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330177898 510931347 /nfs/dbraw/zinc/93/13/47/510931347.db2.gz DHTLHCVCIIIALG-HRCADAONSA-N 2 2 361.534 2.872 20 30 FFEDLP C[C@H](c1ccsc1)[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330178295 510931413 /nfs/dbraw/zinc/93/14/13/510931413.db2.gz DPCNMZJKPLEKCD-GDBMZVCRSA-N 2 2 359.499 2.552 20 30 FFEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000364727780 511046732 /nfs/dbraw/zinc/04/67/32/511046732.db2.gz OQXDLSGBHLQPDW-IBGZPJMESA-N 2 2 368.525 2.661 20 30 FFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2cccc(Br)n2)cc1 ZINC000291819705 511351112 /nfs/dbraw/zinc/35/11/12/511351112.db2.gz DTQIVQVRHUCSNB-UHFFFAOYSA-N 2 2 363.259 2.743 20 30 FFEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000271912954 511368821 /nfs/dbraw/zinc/36/88/21/511368821.db2.gz FIIBGDPNABLCEU-FOIQADDNSA-N 2 2 353.441 2.767 20 30 FFEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)c(F)c1 ZINC000271912954 511368828 /nfs/dbraw/zinc/36/88/28/511368828.db2.gz FIIBGDPNABLCEU-FOIQADDNSA-N 2 2 353.441 2.767 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280240552 511388534 /nfs/dbraw/zinc/38/85/34/511388534.db2.gz NJQLTPORODGUEI-INIZCTEOSA-N 2 2 367.497 2.990 20 30 FFEDLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NC1CC[NH+](C)CC1 ZINC000328630749 511902153 /nfs/dbraw/zinc/90/21/53/511902153.db2.gz JRNGHXALEXQCIV-HOCLYGCPSA-N 2 2 368.522 2.601 20 30 FFEDLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NC1CC[NH+](C)CC1 ZINC000328630749 511902157 /nfs/dbraw/zinc/90/21/57/511902157.db2.gz JRNGHXALEXQCIV-HOCLYGCPSA-N 2 2 368.522 2.601 20 30 FFEDLP COc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ccc1C#N ZINC000281615609 511910134 /nfs/dbraw/zinc/91/01/34/511910134.db2.gz HACMBEYIMPPONI-SFHVURJKSA-N 2 2 351.454 2.714 20 30 FFEDLP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)[C@@H]2C1 ZINC000329227084 512009408 /nfs/dbraw/zinc/00/94/08/512009408.db2.gz AVVCQHRDUOCSGV-GOEBONIOSA-N 2 2 363.531 2.701 20 30 FFEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1=CC[N@H+](C)CC1 ZINC000329324039 512028076 /nfs/dbraw/zinc/02/80/76/512028076.db2.gz VJRVZOQULVCLKP-GOEBONIOSA-N 2 2 359.518 2.649 20 30 FFEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1=CC[N@@H+](C)CC1 ZINC000329324039 512028079 /nfs/dbraw/zinc/02/80/79/512028079.db2.gz VJRVZOQULVCLKP-GOEBONIOSA-N 2 2 359.518 2.649 20 30 FFEDLP C[C@H](NC([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1=CC[N@H+](C)CC1 ZINC000329324039 512028084 /nfs/dbraw/zinc/02/80/84/512028084.db2.gz VJRVZOQULVCLKP-GOEBONIOSA-N 2 2 359.518 2.649 20 30 FFEDLP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000374633298 512927563 /nfs/dbraw/zinc/92/75/63/512927563.db2.gz XPEBIRQLVZQCLU-IBGZPJMESA-N 2 2 352.482 2.614 20 30 FFEDLP C[N@H+]1CCCC12CC[NH+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000374633298 512927568 /nfs/dbraw/zinc/92/75/68/512927568.db2.gz XPEBIRQLVZQCLU-IBGZPJMESA-N 2 2 352.482 2.614 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431610904 513943569 /nfs/dbraw/zinc/94/35/69/513943569.db2.gz RAQIUYJKDOHIGM-ULRHQZHYSA-N 2 2 370.497 2.854 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431610904 513943573 /nfs/dbraw/zinc/94/35/73/513943573.db2.gz RAQIUYJKDOHIGM-ULRHQZHYSA-N 2 2 370.497 2.854 20 30 FFEDLP CC1(C#N)CCC([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000449103050 514072241 /nfs/dbraw/zinc/07/22/41/514072241.db2.gz ODDLTHHGVQYMKV-UHFFFAOYSA-N 2 2 357.498 2.960 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471005114 514715028 /nfs/dbraw/zinc/71/50/28/514715028.db2.gz JVDFTFWORDUOMN-SESVDKBCSA-N 2 2 353.510 2.639 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471005114 514715038 /nfs/dbraw/zinc/71/50/38/514715038.db2.gz JVDFTFWORDUOMN-SESVDKBCSA-N 2 2 353.510 2.639 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471005114 514715049 /nfs/dbraw/zinc/71/50/49/514715049.db2.gz JVDFTFWORDUOMN-SESVDKBCSA-N 2 2 353.510 2.639 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471005114 514715060 /nfs/dbraw/zinc/71/50/60/514715060.db2.gz JVDFTFWORDUOMN-SESVDKBCSA-N 2 2 353.510 2.639 20 30 FFEDLP CN(C(=O)c1ccc(C#N)o1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489149931 514728670 /nfs/dbraw/zinc/72/86/70/514728670.db2.gz VZMCDVORUUJAJJ-ROUUACIJSA-N 2 2 358.486 2.560 20 30 FFEDLP CN(C(=O)c1ccc(C#N)o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489149931 514728681 /nfs/dbraw/zinc/72/86/81/514728681.db2.gz VZMCDVORUUJAJJ-ROUUACIJSA-N 2 2 358.486 2.560 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000476038864 514892436 /nfs/dbraw/zinc/89/24/36/514892436.db2.gz CTRKNWZDPJERNZ-IBGZPJMESA-N 2 2 356.514 2.558 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000476038864 514892450 /nfs/dbraw/zinc/89/24/50/514892450.db2.gz CTRKNWZDPJERNZ-IBGZPJMESA-N 2 2 356.514 2.558 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852446 515089324 /nfs/dbraw/zinc/08/93/24/515089324.db2.gz HPMFWIDTUYFITM-SVFBPWRDSA-N 2 2 362.562 2.873 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852446 515089331 /nfs/dbraw/zinc/08/93/31/515089331.db2.gz HPMFWIDTUYFITM-SVFBPWRDSA-N 2 2 362.562 2.873 20 30 FFEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000530230011 517640021 /nfs/dbraw/zinc/64/00/21/517640021.db2.gz CGXGJRMPVNVJTC-JRGCBEDISA-N 2 2 365.477 2.723 20 30 FFEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000530230011 517640031 /nfs/dbraw/zinc/64/00/31/517640031.db2.gz CGXGJRMPVNVJTC-JRGCBEDISA-N 2 2 365.477 2.723 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472684 518357773 /nfs/dbraw/zinc/35/77/73/518357773.db2.gz AOWZJYJAZPFMOT-DLBZAZTESA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472684 518357777 /nfs/dbraw/zinc/35/77/77/518357777.db2.gz AOWZJYJAZPFMOT-DLBZAZTESA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472684 518357782 /nfs/dbraw/zinc/35/77/82/518357782.db2.gz AOWZJYJAZPFMOT-DLBZAZTESA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472684 518357787 /nfs/dbraw/zinc/35/77/87/518357787.db2.gz AOWZJYJAZPFMOT-DLBZAZTESA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC#Cc3cccc(F)c3)c2cc1C ZINC000569961196 518377252 /nfs/dbraw/zinc/37/72/52/518377252.db2.gz BCJGLYZJOKKQMD-LJQANCHMSA-N 2 2 351.425 2.794 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000573972436 518925379 /nfs/dbraw/zinc/92/53/79/518925379.db2.gz LGORKKPHQBOJLQ-CRAIPNDOSA-N 2 2 360.458 2.693 20 30 FFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000573972436 518925383 /nfs/dbraw/zinc/92/53/83/518925383.db2.gz LGORKKPHQBOJLQ-CRAIPNDOSA-N 2 2 360.458 2.693 20 30 FFEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2)CC1 ZINC000565628261 519049161 /nfs/dbraw/zinc/04/91/61/519049161.db2.gz YXKPMCCFXKMVKP-JOCHJYFZSA-N 2 2 374.488 2.723 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@](O)(C(F)(F)F)C3)CC2)cc1 ZINC000589938316 519107795 /nfs/dbraw/zinc/10/77/95/519107795.db2.gz LZXXEINIXRVCKZ-MSOLQXFVSA-N 2 2 367.415 2.958 20 30 FFEDLP Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn2cc[nH+]c12 ZINC000590841521 519397211 /nfs/dbraw/zinc/39/72/11/519397211.db2.gz FPBGTWIJHPISPE-UHFFFAOYSA-N 2 2 374.448 2.864 20 30 FFEDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000566417213 519480968 /nfs/dbraw/zinc/48/09/68/519480968.db2.gz WKFFHQCMQIMORK-JTSKRJEESA-N 2 2 367.493 2.815 20 30 FFEDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000566417213 519480974 /nfs/dbraw/zinc/48/09/74/519480974.db2.gz WKFFHQCMQIMORK-JTSKRJEESA-N 2 2 367.493 2.815 20 30 FFEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000575120957 519511286 /nfs/dbraw/zinc/51/12/86/519511286.db2.gz TWPDMKXEXYTRAV-RDJZCZTQSA-N 2 2 366.868 2.581 20 30 FFEDLP CCC1([NH+](C)C)CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000602966638 519997001 /nfs/dbraw/zinc/99/70/01/519997001.db2.gz MJAFFXSAJCELMX-LJQANCHMSA-N 2 2 354.498 2.860 20 30 FFEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000600720154 520420041 /nfs/dbraw/zinc/42/00/41/520420041.db2.gz GSAQAWSEHJNIKD-SFTDATJTSA-N 2 2 371.525 2.702 20 30 FFEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000600720154 520420049 /nfs/dbraw/zinc/42/00/49/520420049.db2.gz GSAQAWSEHJNIKD-SFTDATJTSA-N 2 2 371.525 2.702 20 30 FFEDLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[NH+](C)C ZINC000600732737 520432181 /nfs/dbraw/zinc/43/21/81/520432181.db2.gz FARABGMKGHDBCG-BJLQDIEVSA-N 2 2 359.514 2.647 20 30 FFEDLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1C#N)[NH+](C)C ZINC000600733656 520434450 /nfs/dbraw/zinc/43/44/50/520434450.db2.gz LJKRGPDTRVJUIF-JUXOCIIHSA-N 2 2 367.493 2.887 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595551332 520547113 /nfs/dbraw/zinc/54/71/13/520547113.db2.gz IQJMGAJVGMZHHH-OAHLLOKOSA-N 2 2 353.470 2.578 20 30 FFEDLP N#CC1CCC(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000601118770 520645529 /nfs/dbraw/zinc/64/55/29/520645529.db2.gz HITMNTJTZVBOJE-UHFFFAOYSA-N 2 2 357.498 2.817 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610390828 520661566 /nfs/dbraw/zinc/66/15/66/520661566.db2.gz VTZFQJVMQPNHOW-HNNXBMFYSA-N 2 2 355.467 2.774 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610390828 520661577 /nfs/dbraw/zinc/66/15/77/520661577.db2.gz VTZFQJVMQPNHOW-HNNXBMFYSA-N 2 2 355.467 2.774 20 30 FFEDLP COC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCOCC1 ZINC000593720574 521175214 /nfs/dbraw/zinc/17/52/14/521175214.db2.gz HUWRBSDLCAPBFR-NRFANRHFSA-N 2 2 357.498 2.554 20 30 FFEDLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[C@H]21 ZINC000593724250 521175830 /nfs/dbraw/zinc/17/58/30/521175830.db2.gz BMUXBGPAEMBBPP-FDFHNCONSA-N 3 2 352.526 2.985 20 30 FFEDLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[C@H]21 ZINC000593724250 521175836 /nfs/dbraw/zinc/17/58/36/521175836.db2.gz BMUXBGPAEMBBPP-FDFHNCONSA-N 3 2 352.526 2.985 20 30 FFEDLP CCC1([NH+]2CCOCC2)CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000599670416 521382418 /nfs/dbraw/zinc/38/24/18/521382418.db2.gz UZSGBJXPKSZKQU-UHFFFAOYSA-N 2 2 357.498 2.904 20 30 FFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000104166780 728500930 /nfs/dbraw/zinc/50/09/30/728500930.db2.gz LQFQDFWCMQQVGD-IRXDYDNUSA-N 3 2 351.564 2.520 20 30 FFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000104166780 728500934 /nfs/dbraw/zinc/50/09/34/728500934.db2.gz LQFQDFWCMQQVGD-IRXDYDNUSA-N 3 2 351.564 2.520 20 30 FFEDLP C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000847022071 748600550 /nfs/dbraw/zinc/60/05/50/748600550.db2.gz RUUIOXMDXQIVRE-QGZVFWFLSA-N 2 2 357.523 2.519 20 30 FFEDLP C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000847022071 748600554 /nfs/dbraw/zinc/60/05/54/748600554.db2.gz RUUIOXMDXQIVRE-QGZVFWFLSA-N 2 2 357.523 2.519 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001104367326 964293705 /nfs/dbraw/zinc/29/37/05/964293705.db2.gz PHRHYRDYIBTKOI-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001104367326 964293717 /nfs/dbraw/zinc/29/37/17/964293717.db2.gz PHRHYRDYIBTKOI-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nn1 ZINC000657300463 965999215 /nfs/dbraw/zinc/99/92/15/965999215.db2.gz FVKGEYLBCWOBCG-HDICACEKSA-N 2 2 369.513 2.753 20 30 FFEDLP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nn1 ZINC000657300463 965999232 /nfs/dbraw/zinc/99/92/32/965999232.db2.gz FVKGEYLBCWOBCG-HDICACEKSA-N 2 2 369.513 2.753 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001104452514 967326061 /nfs/dbraw/zinc/32/60/61/967326061.db2.gz NCIOCVRNTYRGCB-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001104452514 967326070 /nfs/dbraw/zinc/32/60/70/967326070.db2.gz NCIOCVRNTYRGCB-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1ccccc1 ZINC001211623853 968179207 /nfs/dbraw/zinc/17/92/07/968179207.db2.gz VVZOEZZUMIELSI-VQTJNVASSA-N 2 2 364.493 2.534 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@@H]2C1 ZINC001088139994 973050792 /nfs/dbraw/zinc/05/07/92/973050792.db2.gz OIBVGIQQQPKHPG-MSOLQXFVSA-N 2 2 352.482 2.542 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@@H]2C1 ZINC001088139994 973050804 /nfs/dbraw/zinc/05/08/04/973050804.db2.gz OIBVGIQQQPKHPG-MSOLQXFVSA-N 2 2 352.482 2.542 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001087430946 975994349 /nfs/dbraw/zinc/99/43/49/975994349.db2.gz ROZGJYHTWYDPIV-WIYYLYMNSA-N 2 2 358.445 2.784 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001087430946 975994356 /nfs/dbraw/zinc/99/43/56/975994356.db2.gz ROZGJYHTWYDPIV-WIYYLYMNSA-N 2 2 358.445 2.784 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211707296 977314340 /nfs/dbraw/zinc/31/43/40/977314340.db2.gz KLSBHNWFBQLRIG-ZWKOTPCHSA-N 2 2 352.482 2.848 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001087454678 977767181 /nfs/dbraw/zinc/76/71/81/977767181.db2.gz COUMXXQTFUIHGR-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001087454678 977767189 /nfs/dbraw/zinc/76/71/89/977767189.db2.gz COUMXXQTFUIHGR-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001087454678 977767192 /nfs/dbraw/zinc/76/71/92/977767192.db2.gz COUMXXQTFUIHGR-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001087454678 977767196 /nfs/dbraw/zinc/76/71/96/977767196.db2.gz COUMXXQTFUIHGR-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001087455628 977776206 /nfs/dbraw/zinc/77/62/06/977776206.db2.gz DFIVPMKWCUYQDZ-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001087455628 977776212 /nfs/dbraw/zinc/77/62/12/977776212.db2.gz DFIVPMKWCUYQDZ-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001087455628 977776217 /nfs/dbraw/zinc/77/62/17/977776217.db2.gz DFIVPMKWCUYQDZ-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001087455628 977776221 /nfs/dbraw/zinc/77/62/21/977776221.db2.gz DFIVPMKWCUYQDZ-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968861206 1014591463 /nfs/dbraw/zinc/59/14/63/1014591463.db2.gz JHLVTZCHTQUVOB-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968861206 1014591472 /nfs/dbraw/zinc/59/14/72/1014591472.db2.gz JHLVTZCHTQUVOB-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088605594 981423536 /nfs/dbraw/zinc/42/35/36/981423536.db2.gz XQYOWXXWPVUPRT-JRGCBEDISA-N 2 2 371.500 2.631 20 30 FFEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088605594 981423539 /nfs/dbraw/zinc/42/35/39/981423539.db2.gz XQYOWXXWPVUPRT-JRGCBEDISA-N 2 2 371.500 2.631 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088605594 981423542 /nfs/dbraw/zinc/42/35/42/981423542.db2.gz XQYOWXXWPVUPRT-JRGCBEDISA-N 2 2 371.500 2.631 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088605594 981423544 /nfs/dbraw/zinc/42/35/44/981423544.db2.gz XQYOWXXWPVUPRT-JRGCBEDISA-N 2 2 371.500 2.631 20 30 FFEDLP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC000963815516 1014772792 /nfs/dbraw/zinc/77/27/92/1014772792.db2.gz HCEREBGRQNVNLV-OPXGFZFMSA-N 2 2 368.525 2.747 20 30 FFEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001089060758 986146181 /nfs/dbraw/zinc/14/61/81/986146181.db2.gz FKFSCNDMWZIHIX-UXPWSPDFSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001089060758 986146184 /nfs/dbraw/zinc/14/61/84/986146184.db2.gz FKFSCNDMWZIHIX-UXPWSPDFSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089060758 986146192 /nfs/dbraw/zinc/14/61/92/986146192.db2.gz FKFSCNDMWZIHIX-UXPWSPDFSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089060758 986146198 /nfs/dbraw/zinc/14/61/98/986146198.db2.gz FKFSCNDMWZIHIX-UXPWSPDFSA-N 2 2 354.498 2.512 20 30 FFEDLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000174257408 986172290 /nfs/dbraw/zinc/17/22/90/986172290.db2.gz OTNDQZOWQNPCNX-UHFFFAOYSA-N 2 2 364.493 2.869 20 30 FFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333785 987976084 /nfs/dbraw/zinc/97/60/84/987976084.db2.gz RBMHTIMABPTMQV-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106869851 989772986 /nfs/dbraw/zinc/77/29/86/989772986.db2.gz OPQCVUMZCDUALB-FGTMMUONSA-N 2 2 367.497 2.920 20 30 FFEDLP C#CCCOc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000809751908 994604660 /nfs/dbraw/zinc/60/46/60/994604660.db2.gz XMKOBLGHKFBFQA-CBQGHPETSA-N 2 2 367.537 2.832 20 30 FFEDLP C#CCCOc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000809751908 994604662 /nfs/dbraw/zinc/60/46/62/994604662.db2.gz XMKOBLGHKFBFQA-CBQGHPETSA-N 2 2 367.537 2.832 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479362 1016000551 /nfs/dbraw/zinc/00/05/51/1016000551.db2.gz JTZZUKMXGRKIDJ-YSTOQKLRSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479362 1016000567 /nfs/dbraw/zinc/00/05/67/1016000567.db2.gz JTZZUKMXGRKIDJ-YSTOQKLRSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001084553333 996671788 /nfs/dbraw/zinc/67/17/88/996671788.db2.gz GFKXKWRCSLEQLV-UYAOXDASSA-N 2 2 350.466 2.985 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001084553333 996671791 /nfs/dbraw/zinc/67/17/91/996671791.db2.gz GFKXKWRCSLEQLV-UYAOXDASSA-N 2 2 350.466 2.985 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCc4sccc4C3)C[C@@H]21 ZINC001085099596 998942457 /nfs/dbraw/zinc/94/24/57/998942457.db2.gz AQQPGORYUIDUPY-AEFFLSMTSA-N 2 2 359.539 2.605 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCc4sccc4C3)C[C@@H]21 ZINC001085099596 998942460 /nfs/dbraw/zinc/94/24/60/998942460.db2.gz AQQPGORYUIDUPY-AEFFLSMTSA-N 2 2 359.539 2.605 20 30 FFEDLP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCc4sccc4C3)C[C@@H]21 ZINC001085099596 998942462 /nfs/dbraw/zinc/94/24/62/998942462.db2.gz AQQPGORYUIDUPY-AEFFLSMTSA-N 2 2 359.539 2.605 20 30 FFEDLP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCc4sccc4C3)C[C@@H]21 ZINC001085099596 998942463 /nfs/dbraw/zinc/94/24/63/998942463.db2.gz AQQPGORYUIDUPY-AEFFLSMTSA-N 2 2 359.539 2.605 20 30 FFEDLP C=C(C)CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC1 ZINC001000259739 1016289716 /nfs/dbraw/zinc/28/97/16/1016289716.db2.gz OWPYXYBCVOFKBT-QZTJIDSGSA-N 2 2 356.514 2.851 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000846837382 1000455465 /nfs/dbraw/zinc/45/54/65/1000455465.db2.gz ZCCVFYPFCYRRCR-QZTJIDSGSA-N 2 2 365.481 2.853 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000846837382 1000455469 /nfs/dbraw/zinc/45/54/69/1000455469.db2.gz ZCCVFYPFCYRRCR-QZTJIDSGSA-N 2 2 365.481 2.853 20 30 FFEDLP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001086944026 1001334026 /nfs/dbraw/zinc/33/40/26/1001334026.db2.gz LWTXCMWDUKPNET-RCCFBDPRSA-N 2 2 356.514 2.803 20 30 FFEDLP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183840531 1002406852 /nfs/dbraw/zinc/40/68/52/1002406852.db2.gz HKYPCMLNUWABEH-IBGZPJMESA-N 2 2 356.514 2.759 20 30 FFEDLP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183840531 1002406856 /nfs/dbraw/zinc/40/68/56/1002406856.db2.gz HKYPCMLNUWABEH-IBGZPJMESA-N 2 2 356.514 2.759 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001092614464 1003306652 /nfs/dbraw/zinc/30/66/52/1003306652.db2.gz CTCGBNFNABVDQL-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001092614464 1003306658 /nfs/dbraw/zinc/30/66/58/1003306658.db2.gz CTCGBNFNABVDQL-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1OC ZINC001198760388 1004732330 /nfs/dbraw/zinc/73/23/30/1004732330.db2.gz VCFHJVYFOHDOGT-ZHALLVOQSA-N 2 2 368.481 2.935 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001489097092 1005408342 /nfs/dbraw/zinc/40/83/42/1005408342.db2.gz VSNZXISJWWXRPB-QZTJIDSGSA-N 2 2 367.896 2.804 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001489097092 1005408343 /nfs/dbraw/zinc/40/83/43/1005408343.db2.gz VSNZXISJWWXRPB-QZTJIDSGSA-N 2 2 367.896 2.804 20 30 FFEDLP C=CC[C@]1(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CCC[NH2+]1 ZINC000852873329 1006215929 /nfs/dbraw/zinc/21/59/29/1006215929.db2.gz RRNIMBURHKDBMO-OAQYLSRUSA-N 2 2 356.514 2.536 20 30 FFEDLP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000818584588 1007948850 /nfs/dbraw/zinc/94/88/50/1007948850.db2.gz PTPMYWMHWQTCIY-SFHVURJKSA-N 2 2 356.514 2.565 20 30 FFEDLP CC[NH+]1CCN(c2ccc(-c3noc([C@H]([NH3+])CCCC#N)n3)cc2F)CC1 ZINC000822951080 1008834925 /nfs/dbraw/zinc/83/49/25/1008834925.db2.gz JTTLSTRSHWHHEE-MRXNPFEDSA-N 2 2 372.448 2.711 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094452804 1011141020 /nfs/dbraw/zinc/14/10/20/1011141020.db2.gz FDJIUWIUSILSSG-DBXWQHBBSA-N 2 2 356.514 2.773 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094452804 1011141022 /nfs/dbraw/zinc/14/10/22/1011141022.db2.gz FDJIUWIUSILSSG-DBXWQHBBSA-N 2 2 356.514 2.773 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CC[N@H+](CC4CCC4)C3)CC2)cc1 ZINC001173429009 1012589026 /nfs/dbraw/zinc/58/90/26/1012589026.db2.gz ZKNZKALSPUNLSO-NRFANRHFSA-N 2 2 366.509 2.627 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CC[N@@H+](CC4CCC4)C3)CC2)cc1 ZINC001173429009 1012589037 /nfs/dbraw/zinc/58/90/37/1012589037.db2.gz ZKNZKALSPUNLSO-NRFANRHFSA-N 2 2 366.509 2.627 20 30 FFEDLP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000924786115 1017480582 /nfs/dbraw/zinc/48/05/82/1017480582.db2.gz APTZDZHTNFXEJB-IRXDYDNUSA-N 2 2 364.534 2.990 20 30 FFEDLP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000924786115 1017480593 /nfs/dbraw/zinc/48/05/93/1017480593.db2.gz APTZDZHTNFXEJB-IRXDYDNUSA-N 2 2 364.534 2.990 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001098842492 1021226045 /nfs/dbraw/zinc/22/60/45/1021226045.db2.gz JCFOHZZNVDIGMI-MOXWOTFGSA-N 2 2 368.525 2.701 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001098842492 1021226053 /nfs/dbraw/zinc/22/60/53/1021226053.db2.gz JCFOHZZNVDIGMI-MOXWOTFGSA-N 2 2 368.525 2.701 20 30 FFEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)cc2)cc1 ZINC001222502996 1033014535 /nfs/dbraw/zinc/01/45/35/1033014535.db2.gz YUFXMETWSLOKTE-VXKWHMMOSA-N 2 2 362.477 2.876 20 30 FFEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)cc2)cc1 ZINC001222502996 1033014548 /nfs/dbraw/zinc/01/45/48/1033014548.db2.gz YUFXMETWSLOKTE-VXKWHMMOSA-N 2 2 362.477 2.876 20 30 FFEDLP C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001119772022 1022990806 /nfs/dbraw/zinc/99/08/06/1022990806.db2.gz UHYXDYHDEQKRJF-GOSISDBHSA-N 2 2 350.466 2.685 20 30 FFEDLP C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001119772022 1022990816 /nfs/dbraw/zinc/99/08/16/1022990816.db2.gz UHYXDYHDEQKRJF-GOSISDBHSA-N 2 2 350.466 2.685 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001122537258 1023326223 /nfs/dbraw/zinc/32/62/23/1023326223.db2.gz SCLSVULZLXQESN-IBGZPJMESA-N 2 2 372.561 2.905 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c(cc(OC)cc2OC)[nH+]1 ZINC001159924163 1027534357 /nfs/dbraw/zinc/53/43/57/1027534357.db2.gz FNGVMUFGIWTMJQ-INIZCTEOSA-N 2 2 373.453 2.891 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760534 1028153455 /nfs/dbraw/zinc/15/34/55/1028153455.db2.gz RGZOSATXEMQRKR-ZTFGCOKTSA-N 2 2 364.921 2.511 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760534 1028153465 /nfs/dbraw/zinc/15/34/65/1028153465.db2.gz RGZOSATXEMQRKR-ZTFGCOKTSA-N 2 2 364.921 2.511 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001104217730 1028672461 /nfs/dbraw/zinc/67/24/61/1028672461.db2.gz RLYISSGUBOKMEK-QZTJIDSGSA-N 2 2 358.530 2.802 20 30 FFEDLP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001111756567 1029353629 /nfs/dbraw/zinc/35/36/29/1029353629.db2.gz UNBWGEJGUJBJCG-LRQRDZAKSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001111756567 1029353644 /nfs/dbraw/zinc/35/36/44/1029353644.db2.gz UNBWGEJGUJBJCG-LRQRDZAKSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001111756567 1029353666 /nfs/dbraw/zinc/35/36/66/1029353666.db2.gz UNBWGEJGUJBJCG-LRQRDZAKSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001111756567 1029353672 /nfs/dbraw/zinc/35/36/72/1029353672.db2.gz UNBWGEJGUJBJCG-LRQRDZAKSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001111792844 1029461074 /nfs/dbraw/zinc/46/10/74/1029461074.db2.gz QAAKLIXSKJAWMU-FIKGOQFSSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001111792844 1029461084 /nfs/dbraw/zinc/46/10/84/1029461084.db2.gz QAAKLIXSKJAWMU-FIKGOQFSSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001111792844 1029461090 /nfs/dbraw/zinc/46/10/90/1029461090.db2.gz QAAKLIXSKJAWMU-FIKGOQFSSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001111792844 1029461097 /nfs/dbraw/zinc/46/10/97/1029461097.db2.gz QAAKLIXSKJAWMU-FIKGOQFSSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001112439392 1030812194 /nfs/dbraw/zinc/81/21/94/1030812194.db2.gz XQFZQMCEWCATCT-LQWHRVPQSA-N 2 2 356.514 2.630 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](O)C1 ZINC001220085711 1033975452 /nfs/dbraw/zinc/97/54/52/1033975452.db2.gz KMAAVDGDILLFSK-UXHICEINSA-N 2 2 370.497 2.618 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](O)C1 ZINC001220085711 1033975458 /nfs/dbraw/zinc/97/54/58/1033975458.db2.gz KMAAVDGDILLFSK-UXHICEINSA-N 2 2 370.497 2.618 20 30 FFEDLP C#CCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001138559841 1034412621 /nfs/dbraw/zinc/41/26/21/1034412621.db2.gz FBEGUMWXACYYER-LJQANCHMSA-N 2 2 370.493 2.548 20 30 FFEDLP C#CCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001138559841 1034412628 /nfs/dbraw/zinc/41/26/28/1034412628.db2.gz FBEGUMWXACYYER-LJQANCHMSA-N 2 2 370.493 2.548 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001139015150 1034884266 /nfs/dbraw/zinc/88/42/66/1034884266.db2.gz AWTJKIBZNDGLLO-UHFFFAOYSA-N 2 2 368.447 2.892 20 30 FFEDLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)[NH+](CC)CC ZINC001221811697 1035086762 /nfs/dbraw/zinc/08/67/62/1035086762.db2.gz FXQVKEHGVVRAQV-NJDAHSKKSA-N 2 2 368.525 2.711 20 30 FFEDLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)[NH+](CC)CC ZINC001221811697 1035086771 /nfs/dbraw/zinc/08/67/71/1035086771.db2.gz FXQVKEHGVVRAQV-NJDAHSKKSA-N 2 2 368.525 2.711 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(C#N)c4Cl)C[C@H]3C2)cn1 ZINC001140813566 1036215332 /nfs/dbraw/zinc/21/53/32/1036215332.db2.gz MTPUEWRGHUBCHM-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(C#N)c4Cl)C[C@H]3C2)cn1 ZINC001140813566 1036215349 /nfs/dbraw/zinc/21/53/49/1036215349.db2.gz MTPUEWRGHUBCHM-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(C#N)c4Cl)C[C@H]3C2)cn1 ZINC001140813566 1036215362 /nfs/dbraw/zinc/21/53/62/1036215362.db2.gz MTPUEWRGHUBCHM-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(C#N)c4Cl)C[C@H]3C2)cn1 ZINC001140813566 1036215380 /nfs/dbraw/zinc/21/53/80/1036215380.db2.gz MTPUEWRGHUBCHM-IEBWSBKVSA-N 2 2 369.900 2.899 20 30 FFEDLP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043122 1036286809 /nfs/dbraw/zinc/28/68/09/1036286809.db2.gz FBGBPTBIKFYBMH-LJQANCHMSA-N 2 2 365.481 2.537 20 30 FFEDLP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043122 1036286825 /nfs/dbraw/zinc/28/68/25/1036286825.db2.gz FBGBPTBIKFYBMH-LJQANCHMSA-N 2 2 365.481 2.537 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001206986469 1037027303 /nfs/dbraw/zinc/02/73/03/1037027303.db2.gz OCNRUMQGOSTSSR-NCXUSEDFSA-N 2 2 356.514 2.557 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001206986469 1037027316 /nfs/dbraw/zinc/02/73/16/1037027316.db2.gz OCNRUMQGOSTSSR-NCXUSEDFSA-N 2 2 356.514 2.557 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)cc1OC)C2 ZINC001231619280 1037741074 /nfs/dbraw/zinc/74/10/74/1037741074.db2.gz TUBLMCJUWIJIPT-IRLDBZIGSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)cc1OC)C2 ZINC001231619280 1037741085 /nfs/dbraw/zinc/74/10/85/1037741085.db2.gz TUBLMCJUWIJIPT-IRLDBZIGSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC001231619280 1037741097 /nfs/dbraw/zinc/74/10/97/1037741097.db2.gz TUBLMCJUWIJIPT-IRLDBZIGSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)cc1OC)C2 ZINC001231619280 1037741106 /nfs/dbraw/zinc/74/11/06/1037741106.db2.gz TUBLMCJUWIJIPT-IRLDBZIGSA-N 2 2 369.509 2.747 20 30 FFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216802598 1042126606 /nfs/dbraw/zinc/12/66/06/1042126606.db2.gz AQTKWWUOMAKMCR-RLLQIKCJSA-N 2 2 365.562 2.504 20 30 FFEDLP C=CCN(CC[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12)C(=O)OCC ZINC001237277330 1043086966 /nfs/dbraw/zinc/08/69/66/1043086966.db2.gz ZFISKNWAVPRMDO-UHFFFAOYSA-N 2 2 357.498 2.768 20 30 FFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)CC1 ZINC001279489810 1043176367 /nfs/dbraw/zinc/17/63/67/1043176367.db2.gz ITLZHNHMRVDVPR-NJYVYQBISA-N 2 2 356.514 2.571 20 30 FFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CCn2cc[nH+]c2)CC1 ZINC001279489810 1043176371 /nfs/dbraw/zinc/17/63/71/1043176371.db2.gz ITLZHNHMRVDVPR-NJYVYQBISA-N 2 2 356.514 2.571 20 30 FFEDLP CCCCCCCCCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001238813462 1043908112 /nfs/dbraw/zinc/90/81/12/1043908112.db2.gz UPWZCFPKMBIABL-SFHVURJKSA-N 2 2 373.607 2.873 20 30 FFEDLP CCCCCCCCCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC001238813462 1043908116 /nfs/dbraw/zinc/90/81/16/1043908116.db2.gz UPWZCFPKMBIABL-SFHVURJKSA-N 2 2 373.607 2.873 20 30 FFEDLP COc1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1C[NH+]1CCOCC1 ZINC001240361887 1044323260 /nfs/dbraw/zinc/32/32/60/1044323260.db2.gz YXGLSXTWKRHOIB-UHFFFAOYSA-N 2 2 363.461 2.753 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001316723504 1044842765 /nfs/dbraw/zinc/84/27/65/1044842765.db2.gz SILKOPNXADGMBZ-NHCUHLMSSA-N 2 2 366.509 2.903 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001316723504 1044842788 /nfs/dbraw/zinc/84/27/88/1044842788.db2.gz SILKOPNXADGMBZ-NHCUHLMSSA-N 2 2 366.509 2.903 20 30 FFEDLP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(F)c1 ZINC001285014258 1046688416 /nfs/dbraw/zinc/68/84/16/1046688416.db2.gz BCJRLYUKKLAGJY-IAGOWNOFSA-N 2 2 356.445 2.645 20 30 FFEDLP CN1CC[NH+](C(C)(C)C[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000849054479 1055603913 /nfs/dbraw/zinc/60/39/13/1055603913.db2.gz APVYFGTWXQTAFU-UHFFFAOYSA-N 2 2 357.546 2.966 20 30 FFEDLP CCCC[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NCc1ccc(C)cc1 ZINC000849086017 1055633307 /nfs/dbraw/zinc/63/33/07/1055633307.db2.gz KZPFFZZOSBEMAM-UHFFFAOYSA-N 2 2 356.518 2.830 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001515295947 1059511317 /nfs/dbraw/zinc/51/13/17/1059511317.db2.gz LXUUMDSESJZTDP-KSZLIROESA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001515295947 1059511337 /nfs/dbraw/zinc/51/13/37/1059511337.db2.gz LXUUMDSESJZTDP-KSZLIROESA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001515295947 1059511358 /nfs/dbraw/zinc/51/13/58/1059511358.db2.gz LXUUMDSESJZTDP-KSZLIROESA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001515295947 1059511379 /nfs/dbraw/zinc/51/13/79/1059511379.db2.gz LXUUMDSESJZTDP-KSZLIROESA-N 2 2 360.550 2.787 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001569592997 1077154388 /nfs/dbraw/zinc/15/43/88/1077154388.db2.gz JHNJGOBYEQUYEJ-WOJBJXKFSA-N 2 2 370.541 2.886 20 30 FFEDLP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000328635376 533540043 /nfs/dbraw/zinc/54/00/43/533540043.db2.gz NIKZDBRUHZBNKE-LAUBAEHRSA-N 2 2 367.497 2.815 20 30 FFEDLP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000328635376 533540047 /nfs/dbraw/zinc/54/00/47/533540047.db2.gz NIKZDBRUHZBNKE-LAUBAEHRSA-N 2 2 367.497 2.815 20 30 FFEDLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000328635376 533540054 /nfs/dbraw/zinc/54/00/54/533540054.db2.gz NIKZDBRUHZBNKE-LAUBAEHRSA-N 2 2 367.497 2.815 20 30 FFEDLP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000328635376 533540055 /nfs/dbraw/zinc/54/00/55/533540055.db2.gz NIKZDBRUHZBNKE-LAUBAEHRSA-N 2 2 367.497 2.815 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080293324 508063414 /nfs/dbraw/zinc/06/34/14/508063414.db2.gz YXLJOJXIXUUDLS-CZAAIQMYSA-N 2 2 362.477 2.727 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080293324 508063417 /nfs/dbraw/zinc/06/34/17/508063417.db2.gz YXLJOJXIXUUDLS-CZAAIQMYSA-N 2 2 362.477 2.727 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000104155339 508329388 /nfs/dbraw/zinc/32/93/88/508329388.db2.gz VGQLABLUGBESEV-MRXNPFEDSA-N 2 2 360.433 2.872 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C(N)=O)cc1 ZINC000115599989 508417481 /nfs/dbraw/zinc/41/74/81/508417481.db2.gz XLPJVZHLAKQRBI-KBRMVUAJSA-N 2 2 374.488 2.870 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C(N)=O)cc1 ZINC000115599989 508417484 /nfs/dbraw/zinc/41/74/84/508417484.db2.gz XLPJVZHLAKQRBI-KBRMVUAJSA-N 2 2 374.488 2.870 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123654911 508721624 /nfs/dbraw/zinc/72/16/24/508721624.db2.gz SEVVPGVLAJMWRO-HZPDHXFCSA-N 2 2 351.454 2.573 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123654911 508721630 /nfs/dbraw/zinc/72/16/30/508721630.db2.gz SEVVPGVLAJMWRO-HZPDHXFCSA-N 2 2 351.454 2.573 20 30 FFEDLP Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000129483704 508731526 /nfs/dbraw/zinc/73/15/26/508731526.db2.gz CNBLKGSXQJUESJ-BLLLJJGKSA-N 2 2 357.483 2.955 20 30 FFEDLP Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000129483704 508731528 /nfs/dbraw/zinc/73/15/28/508731528.db2.gz CNBLKGSXQJUESJ-BLLLJJGKSA-N 2 2 357.483 2.955 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000158772207 508750249 /nfs/dbraw/zinc/75/02/49/508750249.db2.gz FOFZHWSEDVKMHK-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000158772207 508750252 /nfs/dbraw/zinc/75/02/52/508750252.db2.gz FOFZHWSEDVKMHK-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000158772207 508750255 /nfs/dbraw/zinc/75/02/55/508750255.db2.gz FOFZHWSEDVKMHK-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000158772207 508750260 /nfs/dbraw/zinc/75/02/60/508750260.db2.gz FOFZHWSEDVKMHK-CTNGQTDRSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1cccc(OCc2cccnc2)c1 ZINC000154760397 508849559 /nfs/dbraw/zinc/84/95/59/508849559.db2.gz RGBLKBRAANVYEM-UHFFFAOYSA-N 2 2 365.437 2.893 20 30 FFEDLP CN(C(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124701964 508871712 /nfs/dbraw/zinc/87/17/12/508871712.db2.gz PSQSWTQVIKRIRH-RTWAWAEBSA-N 2 2 368.525 2.967 20 30 FFEDLP CN(C(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124701964 508871714 /nfs/dbraw/zinc/87/17/14/508871714.db2.gz PSQSWTQVIKRIRH-RTWAWAEBSA-N 2 2 368.525 2.967 20 30 FFEDLP Cc1ccc2[nH+]c(CSCC(=O)N(CCC#N)CCC[NH+](C)C)cn2c1 ZINC000263915232 509226981 /nfs/dbraw/zinc/22/69/81/509226981.db2.gz BEANKJYGEMQRNB-UHFFFAOYSA-N 2 2 373.526 2.570 20 30 FFEDLP CCO[C@H]1C[C@@](CO)([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000188905162 509318403 /nfs/dbraw/zinc/31/84/03/509318403.db2.gz IOJQXAPDGREXQM-UNMCSNQZSA-N 2 2 371.525 2.678 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267398056 509466936 /nfs/dbraw/zinc/46/69/36/509466936.db2.gz FIMBBBNPZZNLHU-ASPXRTSYSA-N 2 2 357.502 2.908 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267398056 509466940 /nfs/dbraw/zinc/46/69/40/509466940.db2.gz FIMBBBNPZZNLHU-ASPXRTSYSA-N 2 2 357.502 2.908 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237902166 509767186 /nfs/dbraw/zinc/76/71/86/509767186.db2.gz RALCSOLBCRLCQO-UHFFFAOYSA-N 2 2 355.442 2.735 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173794042 509782904 /nfs/dbraw/zinc/78/29/04/509782904.db2.gz LVUKBAHBWVLTSU-OALUTQOASA-N 2 2 356.514 2.985 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000173794042 509782910 /nfs/dbraw/zinc/78/29/10/509782910.db2.gz LVUKBAHBWVLTSU-OALUTQOASA-N 2 2 356.514 2.985 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000255918840 509939918 /nfs/dbraw/zinc/93/99/18/509939918.db2.gz ZBJBCIZWZLXWDY-TWGQIWQCSA-N 2 2 368.525 2.677 20 30 FFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177324774 509997205 /nfs/dbraw/zinc/99/72/05/509997205.db2.gz CTOSACDTZSFGOJ-CABCVRRESA-N 2 2 372.538 2.996 20 30 FFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177324774 509997209 /nfs/dbraw/zinc/99/72/09/509997209.db2.gz CTOSACDTZSFGOJ-CABCVRRESA-N 2 2 372.538 2.996 20 30 FFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177324774 509997215 /nfs/dbraw/zinc/99/72/15/509997215.db2.gz CTOSACDTZSFGOJ-CABCVRRESA-N 2 2 372.538 2.996 20 30 FFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177324774 509997220 /nfs/dbraw/zinc/99/72/20/509997220.db2.gz CTOSACDTZSFGOJ-CABCVRRESA-N 2 2 372.538 2.996 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Nc2cccc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000174441555 510116622 /nfs/dbraw/zinc/11/66/22/510116622.db2.gz IPYMXALOLCNZGW-UHFFFAOYSA-N 2 2 355.486 2.630 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C#N)c1C ZINC000171387509 510123075 /nfs/dbraw/zinc/12/30/75/510123075.db2.gz MNWLPDBYJZVQSP-HNNXBMFYSA-N 2 2 358.486 2.903 20 30 FFEDLP COc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181443104 510411221 /nfs/dbraw/zinc/41/12/21/510411221.db2.gz SLTPPCMKAOATKI-JOCHJYFZSA-N 2 2 365.477 2.854 20 30 FFEDLP Cc1nc(C)c(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000266248632 510482321 /nfs/dbraw/zinc/48/23/21/510482321.db2.gz BECPXDPOKSONSI-UHFFFAOYSA-N 2 2 374.510 2.554 20 30 FFEDLP C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188327596 510712906 /nfs/dbraw/zinc/71/29/06/510712906.db2.gz FPTJLJJAAGQUOB-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188327596 510712909 /nfs/dbraw/zinc/71/29/09/510712909.db2.gz FPTJLJJAAGQUOB-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188327596 510712914 /nfs/dbraw/zinc/71/29/14/510712914.db2.gz FPTJLJJAAGQUOB-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(F)c(C#N)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188327596 510712917 /nfs/dbraw/zinc/71/29/17/510712917.db2.gz FPTJLJJAAGQUOB-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c[nH+]2)C[C@@H](C)O1 ZINC000330268573 510952050 /nfs/dbraw/zinc/95/20/50/510952050.db2.gz RGVRYXSBJKHMLW-RKVPGOIHSA-N 2 2 358.486 2.779 20 30 FFEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)c[nH+]2)C[C@@H](C)O1 ZINC000330268573 510952053 /nfs/dbraw/zinc/95/20/53/510952053.db2.gz RGVRYXSBJKHMLW-RKVPGOIHSA-N 2 2 358.486 2.779 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000277128965 510954820 /nfs/dbraw/zinc/95/48/20/510954820.db2.gz IHKBOOZKTHMCON-IBGZPJMESA-N 2 2 356.514 2.966 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000277128965 510954824 /nfs/dbraw/zinc/95/48/24/510954824.db2.gz IHKBOOZKTHMCON-IBGZPJMESA-N 2 2 356.514 2.966 20 30 FFEDLP C[C@@H]1C[NH+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000285576757 510964549 /nfs/dbraw/zinc/96/45/49/510964549.db2.gz IJCOUOZXPFKWHB-QZTJIDSGSA-N 2 2 356.514 2.616 20 30 FFEDLP NC(=[NH+]OCCc1ccccc1F)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000278131622 510982523 /nfs/dbraw/zinc/98/25/23/510982523.db2.gz ODUDTSKJCVEFAP-UHFFFAOYSA-N 2 2 371.456 2.662 20 30 FFEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)C(F)(F)F ZINC000271909162 511367869 /nfs/dbraw/zinc/36/78/69/511367869.db2.gz XMJRHGLFXAIIFR-IRXDYDNUSA-N 2 2 355.404 2.814 20 30 FFEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1C#N ZINC000281589501 511901220 /nfs/dbraw/zinc/90/12/20/511901220.db2.gz DWMJSSPIJGDJCD-SFTDATJTSA-N 2 2 365.477 2.539 20 30 FFEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1C#N ZINC000281589501 511901222 /nfs/dbraw/zinc/90/12/22/511901222.db2.gz DWMJSSPIJGDJCD-SFTDATJTSA-N 2 2 365.477 2.539 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000328638375 511903129 /nfs/dbraw/zinc/90/31/29/511903129.db2.gz BKWAJPRBDZHIEE-RBUKOAKNSA-N 2 2 367.497 2.847 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000328638375 511903131 /nfs/dbraw/zinc/90/31/31/511903131.db2.gz BKWAJPRBDZHIEE-RBUKOAKNSA-N 2 2 367.497 2.847 20 30 FFEDLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000328857635 511941285 /nfs/dbraw/zinc/94/12/85/511941285.db2.gz UNQQZFYIVNKXLH-INIZCTEOSA-N 2 2 363.531 2.845 20 30 FFEDLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000328857635 511941291 /nfs/dbraw/zinc/94/12/91/511941291.db2.gz UNQQZFYIVNKXLH-INIZCTEOSA-N 2 2 363.531 2.845 20 30 FFEDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000329523304 512063128 /nfs/dbraw/zinc/06/31/28/512063128.db2.gz GKHRCHUNEHRTHS-IEBWSBKVSA-N 2 2 353.470 2.702 20 30 FFEDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000329523304 512063133 /nfs/dbraw/zinc/06/31/33/512063133.db2.gz GKHRCHUNEHRTHS-IEBWSBKVSA-N 2 2 353.470 2.702 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000369647073 512531455 /nfs/dbraw/zinc/53/14/55/512531455.db2.gz JTEZPWNHGCSXIS-UTKZUKDTSA-N 2 2 362.477 2.997 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000369647073 512531459 /nfs/dbraw/zinc/53/14/59/512531459.db2.gz JTEZPWNHGCSXIS-UTKZUKDTSA-N 2 2 362.477 2.997 20 30 FFEDLP COCC[NH+](CCOC)C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411729818 512781482 /nfs/dbraw/zinc/78/14/82/512781482.db2.gz XQUQSPVSPLSRTO-UHFFFAOYSA-N 2 2 351.535 2.910 20 30 FFEDLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000380624380 512873114 /nfs/dbraw/zinc/87/31/14/512873114.db2.gz SLZAPEBFVKNVDO-UIFIKXQLSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000380624380 512873117 /nfs/dbraw/zinc/87/31/17/512873117.db2.gz SLZAPEBFVKNVDO-UIFIKXQLSA-N 2 2 365.477 2.551 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000449505602 514232401 /nfs/dbraw/zinc/23/24/01/514232401.db2.gz KDGNCSAFBJXJGM-FCHUYYIVSA-N 2 2 353.510 2.909 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470995451 514710391 /nfs/dbraw/zinc/71/03/91/514710391.db2.gz OYYBPSNVFGTCRG-NRSPTQNISA-N 2 2 355.526 2.863 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470995451 514710400 /nfs/dbraw/zinc/71/04/00/514710400.db2.gz OYYBPSNVFGTCRG-NRSPTQNISA-N 2 2 355.526 2.863 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470995451 514710408 /nfs/dbraw/zinc/71/04/08/514710408.db2.gz OYYBPSNVFGTCRG-NRSPTQNISA-N 2 2 355.526 2.863 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470995451 514710413 /nfs/dbraw/zinc/71/04/13/514710413.db2.gz OYYBPSNVFGTCRG-NRSPTQNISA-N 2 2 355.526 2.863 20 30 FFEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512649957 516318168 /nfs/dbraw/zinc/31/81/68/516318168.db2.gz VWWMWMDKFDBYOO-DNVCBOLYSA-N 2 2 353.441 2.767 20 30 FFEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1F ZINC000512649957 516318171 /nfs/dbraw/zinc/31/81/71/516318171.db2.gz VWWMWMDKFDBYOO-DNVCBOLYSA-N 2 2 353.441 2.767 20 30 FFEDLP Cc1c[nH+]c2cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)ccn12 ZINC000517584882 516374969 /nfs/dbraw/zinc/37/49/69/516374969.db2.gz YJPJIZFSZUYRRG-UHFFFAOYSA-N 2 2 361.449 2.718 20 30 FFEDLP CN(C(=O)NCC(C)(C)C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000512888059 516401182 /nfs/dbraw/zinc/40/11/82/516401182.db2.gz FDRGNAZGCHBHMO-MSOLQXFVSA-N 2 2 363.550 2.515 20 30 FFEDLP CN(C(=O)NCC(C)(C)C#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000512888059 516401190 /nfs/dbraw/zinc/40/11/90/516401190.db2.gz FDRGNAZGCHBHMO-MSOLQXFVSA-N 2 2 363.550 2.515 20 30 FFEDLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000552678360 517346276 /nfs/dbraw/zinc/34/62/76/517346276.db2.gz DHEUQVHSZHMMMY-KDURUIRLSA-N 2 2 374.500 2.767 20 30 FFEDLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000552678360 517346283 /nfs/dbraw/zinc/34/62/83/517346283.db2.gz DHEUQVHSZHMMMY-KDURUIRLSA-N 2 2 374.500 2.767 20 30 FFEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000530230012 517638961 /nfs/dbraw/zinc/63/89/61/517638961.db2.gz CGXGJRMPVNVJTC-QMMLZNLJSA-N 2 2 365.477 2.723 20 30 FFEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000530230012 517638966 /nfs/dbraw/zinc/63/89/66/517638966.db2.gz CGXGJRMPVNVJTC-QMMLZNLJSA-N 2 2 365.477 2.723 20 30 FFEDLP CN(C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1)C1(C#N)CCCCC1 ZINC000534127990 517755508 /nfs/dbraw/zinc/75/55/08/517755508.db2.gz KDKSYHRCYYNMEN-UHFFFAOYSA-N 2 2 355.486 2.643 20 30 FFEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000542878993 517794305 /nfs/dbraw/zinc/79/43/05/517794305.db2.gz DLKUMNLOPXDOMZ-JLTOFOAXSA-N 2 2 359.433 2.930 20 30 FFEDLP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527813381 517929369 /nfs/dbraw/zinc/92/93/69/517929369.db2.gz YOECLFZVSUMJTC-QFIPXVFZSA-N 2 2 374.488 2.939 20 30 FFEDLP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527813379 517930322 /nfs/dbraw/zinc/93/03/22/517930322.db2.gz YOECLFZVSUMJTC-JOCHJYFZSA-N 2 2 374.488 2.939 20 30 FFEDLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1)[NH+](C)C ZINC000571755396 519258614 /nfs/dbraw/zinc/25/86/14/519258614.db2.gz BIPOICXBMSXGJV-LZNRXBQRSA-N 2 2 367.493 2.887 20 30 FFEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)CC1 ZINC000580984340 519459727 /nfs/dbraw/zinc/45/97/27/519459727.db2.gz LNJNZGHGUIPMKC-KRWDZBQOSA-N 2 2 366.431 2.789 20 30 FFEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)CC1 ZINC000580984340 519459736 /nfs/dbraw/zinc/45/97/36/519459736.db2.gz LNJNZGHGUIPMKC-KRWDZBQOSA-N 2 2 366.431 2.789 20 30 FFEDLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000566417218 519480297 /nfs/dbraw/zinc/48/02/97/519480297.db2.gz WKFFHQCMQIMORK-VGSWGCGISA-N 2 2 367.493 2.815 20 30 FFEDLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000566417218 519480300 /nfs/dbraw/zinc/48/03/00/519480300.db2.gz WKFFHQCMQIMORK-VGSWGCGISA-N 2 2 367.493 2.815 20 30 FFEDLP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594965108 520231502 /nfs/dbraw/zinc/23/15/02/520231502.db2.gz ONRDGUYCBWOONL-NNWRFLSQSA-N 2 2 371.525 2.678 20 30 FFEDLP CCC(CC)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000600725759 520426369 /nfs/dbraw/zinc/42/63/69/520426369.db2.gz KBJUDLAINBSETN-OALUTQOASA-N 2 2 351.535 2.548 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1F ZINC000601126571 520648661 /nfs/dbraw/zinc/64/86/61/520648661.db2.gz USJFOKWKYJRWTR-UHFFFAOYSA-N 2 2 369.440 2.698 20 30 FFEDLP C[C@H](CCC#N)C[NH2+]CC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000602680975 521476691 /nfs/dbraw/zinc/47/66/91/521476691.db2.gz IQUVVQCNJPZIJC-HXUWFJFHSA-N 2 2 370.541 2.887 20 30 FFEDLP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@]1(C)CCCS1 ZINC000261938763 729655270 /nfs/dbraw/zinc/65/52/70/729655270.db2.gz CZDPLDXWCFERAQ-GOSISDBHSA-N 2 2 361.490 2.962 20 30 FFEDLP C[NH+]1CCN(c2ccc(C=[NH+]NCC(F)(F)C(F)(F)F)cc2)CC1 ZINC000863180798 730753876 /nfs/dbraw/zinc/75/38/76/730753876.db2.gz AGYNVFASPPGILD-UHFFFAOYSA-N 2 2 350.335 2.560 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)[C@H](C)C1 ZINC000877030031 732314901 /nfs/dbraw/zinc/31/49/01/732314901.db2.gz WLFRFFHKXXEXFZ-PBHICJAKSA-N 2 2 350.894 2.833 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)[C@H](C)C1 ZINC000877030031 732314905 /nfs/dbraw/zinc/31/49/05/732314905.db2.gz WLFRFFHKXXEXFZ-PBHICJAKSA-N 2 2 350.894 2.833 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Nc2sccc2C#N)([NH+]2CCCCC2)CC1 ZINC000931843223 739338749 /nfs/dbraw/zinc/33/87/49/739338749.db2.gz RFYSDGIWQYRUMA-UHFFFAOYSA-N 2 2 361.515 2.692 20 30 FFEDLP N#CCCOCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000815116147 741903094 /nfs/dbraw/zinc/90/30/94/741903094.db2.gz BRKVASCPOFLSLH-UHFFFAOYSA-N 2 2 367.247 2.671 20 30 FFEDLP N#CCCOCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000815116147 741903096 /nfs/dbraw/zinc/90/30/96/741903096.db2.gz BRKVASCPOFLSLH-UHFFFAOYSA-N 2 2 367.247 2.671 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200080 745005412 /nfs/dbraw/zinc/00/54/12/745005412.db2.gz PXPGNAVNVCCERB-GPMSIDNRSA-N 2 2 362.905 2.591 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054200080 745005418 /nfs/dbraw/zinc/00/54/18/745005418.db2.gz PXPGNAVNVCCERB-GPMSIDNRSA-N 2 2 362.905 2.591 20 30 FFEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1=O ZINC001167987962 966054235 /nfs/dbraw/zinc/05/42/35/966054235.db2.gz NVVFVGNLQXFFMI-XQXKNUKBSA-N 2 2 357.542 2.892 20 30 FFEDLP C=CCN1CC[C@@]2(CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1=O ZINC001167987962 966054248 /nfs/dbraw/zinc/05/42/48/966054248.db2.gz NVVFVGNLQXFFMI-XQXKNUKBSA-N 2 2 357.542 2.892 20 30 FFEDLP C=CCN1CC[C@@]2(CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1=O ZINC001167987962 966054262 /nfs/dbraw/zinc/05/42/62/966054262.db2.gz NVVFVGNLQXFFMI-XQXKNUKBSA-N 2 2 357.542 2.892 20 30 FFEDLP C=CCN1CC[C@@]2(CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1=O ZINC001167987962 966054273 /nfs/dbraw/zinc/05/42/73/966054273.db2.gz NVVFVGNLQXFFMI-XQXKNUKBSA-N 2 2 357.542 2.892 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168002759 967462945 /nfs/dbraw/zinc/46/29/45/967462945.db2.gz XHCFYOFQZNYAIN-AIZNXBIQSA-N 3 2 372.601 2.683 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002759 967462951 /nfs/dbraw/zinc/46/29/51/967462951.db2.gz XHCFYOFQZNYAIN-AIZNXBIQSA-N 3 2 372.601 2.683 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1 ZINC001211625947 968299066 /nfs/dbraw/zinc/29/90/66/968299066.db2.gz ZOPDAGYVVHIJAN-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001087625573 968407522 /nfs/dbraw/zinc/40/75/22/968407522.db2.gz MRURZRQAAUNJKB-PWRODBHTSA-N 2 2 371.500 2.631 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001087625573 968407526 /nfs/dbraw/zinc/40/75/26/968407526.db2.gz MRURZRQAAUNJKB-PWRODBHTSA-N 2 2 371.500 2.631 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001087625573 968407531 /nfs/dbraw/zinc/40/75/31/968407531.db2.gz MRURZRQAAUNJKB-PWRODBHTSA-N 2 2 371.500 2.631 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001087625573 968407533 /nfs/dbraw/zinc/40/75/33/968407533.db2.gz MRURZRQAAUNJKB-PWRODBHTSA-N 2 2 371.500 2.631 20 30 FFEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001024991221 969445312 /nfs/dbraw/zinc/44/53/12/969445312.db2.gz UUDBHWGHAUOBHE-GUDVDZBRSA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001024991221 969445321 /nfs/dbraw/zinc/44/53/21/969445321.db2.gz UUDBHWGHAUOBHE-GUDVDZBRSA-N 2 2 363.465 2.556 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001271777079 974323276 /nfs/dbraw/zinc/32/32/76/974323276.db2.gz DYERQADHSYQMKN-QBPKDAKJSA-N 2 2 364.921 2.788 20 30 FFEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCS[C@H](CC)C1 ZINC000261640545 977398946 /nfs/dbraw/zinc/39/89/46/977398946.db2.gz AHCWJNYHVRZTJD-QGZVFWFLSA-N 2 2 372.542 2.869 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001087464572 978265995 /nfs/dbraw/zinc/26/59/95/978265995.db2.gz QBNFFSUBUZLALH-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001087464572 978266002 /nfs/dbraw/zinc/26/60/02/978266002.db2.gz QBNFFSUBUZLALH-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001087464572 978266010 /nfs/dbraw/zinc/26/60/10/978266010.db2.gz QBNFFSUBUZLALH-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001087464572 978266019 /nfs/dbraw/zinc/26/60/19/978266019.db2.gz QBNFFSUBUZLALH-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C[NH+]=C(NCCO[C@@H]1CCCC[C@@H]1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159974894 979476298 /nfs/dbraw/zinc/47/62/98/979476298.db2.gz DVIXMUXIGQBZFM-INDMIFKZSA-N 2 2 361.534 2.937 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569505 981151436 /nfs/dbraw/zinc/15/14/36/981151436.db2.gz XDRPGFQHKXADRJ-RYRKJORJSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569505 981151438 /nfs/dbraw/zinc/15/14/38/981151438.db2.gz XDRPGFQHKXADRJ-RYRKJORJSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569505 981151442 /nfs/dbraw/zinc/15/14/42/981151442.db2.gz XDRPGFQHKXADRJ-RYRKJORJSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569505 981151444 /nfs/dbraw/zinc/15/14/44/981151444.db2.gz XDRPGFQHKXADRJ-RYRKJORJSA-N 2 2 353.938 2.973 20 30 FFEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088604947 981420518 /nfs/dbraw/zinc/42/05/18/981420518.db2.gz ALTIFEFVRAHAFC-UXPWSPDFSA-N 2 2 354.498 2.512 20 30 FFEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088604947 981420521 /nfs/dbraw/zinc/42/05/21/981420521.db2.gz ALTIFEFVRAHAFC-UXPWSPDFSA-N 2 2 354.498 2.512 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088604947 981420522 /nfs/dbraw/zinc/42/05/22/981420522.db2.gz ALTIFEFVRAHAFC-UXPWSPDFSA-N 2 2 354.498 2.512 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088604947 981420524 /nfs/dbraw/zinc/42/05/24/981420524.db2.gz ALTIFEFVRAHAFC-UXPWSPDFSA-N 2 2 354.498 2.512 20 30 FFEDLP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000083032286 984041614 /nfs/dbraw/zinc/04/16/14/984041614.db2.gz JFOQXYWIWSIWKI-PBHICJAKSA-N 2 2 370.522 2.923 20 30 FFEDLP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000083032286 984041619 /nfs/dbraw/zinc/04/16/19/984041619.db2.gz JFOQXYWIWSIWKI-PBHICJAKSA-N 2 2 370.522 2.923 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]ccc3OC)CCC[C@@H]12 ZINC001107448856 984549488 /nfs/dbraw/zinc/54/94/88/984549488.db2.gz YLFPIARIELIHDU-TZIWHRDSSA-N 2 2 357.498 2.960 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]ccc3OC)CCC[C@@H]12 ZINC001107448856 984549494 /nfs/dbraw/zinc/54/94/94/984549494.db2.gz YLFPIARIELIHDU-TZIWHRDSSA-N 2 2 357.498 2.960 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Nc2cc(C#N)ccc2F)([NH+]2CCCCC2)CC1 ZINC000888359539 985516730 /nfs/dbraw/zinc/51/67/30/985516730.db2.gz JUOYJDVIQCNLBA-UHFFFAOYSA-N 2 2 373.476 2.769 20 30 FFEDLP Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000913666301 986802572 /nfs/dbraw/zinc/80/25/72/986802572.db2.gz XIZUWYUQUZWQIX-UHFFFAOYSA-N 2 2 363.465 2.503 20 30 FFEDLP C[NH+]1CCC(CNC(=O)/C=C\c2ccccc2C#N)([NH+]2CCCCC2)CC1 ZINC000255470407 987671994 /nfs/dbraw/zinc/67/19/94/987671994.db2.gz LBHMMKRJXIPKCH-KTKRTIGZSA-N 2 2 366.509 2.638 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001079187367 991897185 /nfs/dbraw/zinc/89/71/85/991897185.db2.gz APGDBYNLOFNPOJ-FTEYMNFISA-N 2 2 368.456 2.813 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079187367 991897191 /nfs/dbraw/zinc/89/71/91/991897191.db2.gz APGDBYNLOFNPOJ-FTEYMNFISA-N 2 2 368.456 2.813 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751632 992137722 /nfs/dbraw/zinc/13/77/22/992137722.db2.gz RSDRKYIPSZGJOP-QRVBRYPASA-N 2 2 370.541 2.947 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751632 992137729 /nfs/dbraw/zinc/13/77/29/992137729.db2.gz RSDRKYIPSZGJOP-QRVBRYPASA-N 2 2 370.541 2.947 20 30 FFEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001080557449 993162708 /nfs/dbraw/zinc/16/27/08/993162708.db2.gz VJFBQEMAAZNASO-UIFIKXQLSA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001080557449 993162712 /nfs/dbraw/zinc/16/27/12/993162712.db2.gz VJFBQEMAAZNASO-UIFIKXQLSA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080557449 993162717 /nfs/dbraw/zinc/16/27/17/993162717.db2.gz VJFBQEMAAZNASO-UIFIKXQLSA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080557449 993162723 /nfs/dbraw/zinc/16/27/23/993162723.db2.gz VJFBQEMAAZNASO-UIFIKXQLSA-N 2 2 368.525 2.758 20 30 FFEDLP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479303 1016000805 /nfs/dbraw/zinc/00/08/05/1016000805.db2.gz IYPBIGUQZKBECC-ZRNYENFQSA-N 2 2 368.525 2.795 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479303 1016000816 /nfs/dbraw/zinc/00/08/16/1016000816.db2.gz IYPBIGUQZKBECC-ZRNYENFQSA-N 2 2 368.525 2.795 20 30 FFEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)c1 ZINC001084488305 996608503 /nfs/dbraw/zinc/60/85/03/996608503.db2.gz WCTYLMZOCVVMMJ-TZIWHRDSSA-N 2 2 371.444 2.552 20 30 FFEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)c1 ZINC001084488305 996608509 /nfs/dbraw/zinc/60/85/09/996608509.db2.gz WCTYLMZOCVVMMJ-TZIWHRDSSA-N 2 2 371.444 2.552 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464158 1000510619 /nfs/dbraw/zinc/51/06/19/1000510619.db2.gz OISCMSLSDNDOLS-YRXWBPOGSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464158 1000510625 /nfs/dbraw/zinc/51/06/25/1000510625.db2.gz OISCMSLSDNDOLS-YRXWBPOGSA-N 2 2 356.514 2.913 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001109686890 1000849336 /nfs/dbraw/zinc/84/93/36/1000849336.db2.gz NHWIJIPPYMLTPV-BTHPGYMESA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001109686890 1000849341 /nfs/dbraw/zinc/84/93/41/1000849341.db2.gz NHWIJIPPYMLTPV-BTHPGYMESA-N 2 2 372.488 2.505 20 30 FFEDLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001109772903 1000980757 /nfs/dbraw/zinc/98/07/57/1000980757.db2.gz XFAZNIIENUEJTN-XCLNPWKQSA-N 2 2 363.465 2.628 20 30 FFEDLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001109772903 1000980760 /nfs/dbraw/zinc/98/07/60/1000980760.db2.gz XFAZNIIENUEJTN-XCLNPWKQSA-N 2 2 363.465 2.628 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001086851415 1001257200 /nfs/dbraw/zinc/25/72/00/1001257200.db2.gz CDNJFBLHFRZYHE-LSDHHAIUSA-N 2 2 359.861 2.508 20 30 FFEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc(Br)ccc3C#N)C2)CC1 ZINC001185314334 1002909089 /nfs/dbraw/zinc/90/90/89/1002909089.db2.gz VCMOIDTXNFICOP-OAHLLOKOSA-N 2 2 363.303 2.901 20 30 FFEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc(Br)ccc3C#N)C2)CC1 ZINC001185314334 1002909091 /nfs/dbraw/zinc/90/90/91/1002909091.db2.gz VCMOIDTXNFICOP-OAHLLOKOSA-N 2 2 363.303 2.901 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001095556540 1016753091 /nfs/dbraw/zinc/75/30/91/1016753091.db2.gz XPISJEXROKGGJC-ANULTFPQSA-N 2 2 369.553 2.776 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001095556540 1016753100 /nfs/dbraw/zinc/75/31/00/1016753100.db2.gz XPISJEXROKGGJC-ANULTFPQSA-N 2 2 369.553 2.776 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001095556540 1016753110 /nfs/dbraw/zinc/75/31/10/1016753110.db2.gz XPISJEXROKGGJC-ANULTFPQSA-N 2 2 369.553 2.776 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001095556540 1016753120 /nfs/dbraw/zinc/75/31/20/1016753120.db2.gz XPISJEXROKGGJC-ANULTFPQSA-N 2 2 369.553 2.776 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001110578696 1005332618 /nfs/dbraw/zinc/33/26/18/1005332618.db2.gz UIMJHFASQNZAAA-AITUJVMLSA-N 2 2 356.514 2.838 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001110578696 1005332624 /nfs/dbraw/zinc/33/26/24/1005332624.db2.gz UIMJHFASQNZAAA-AITUJVMLSA-N 2 2 356.514 2.838 20 30 FFEDLP CC[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CCN(c2cccc[nH+]2)CC1 ZINC000131026401 1006654067 /nfs/dbraw/zinc/65/40/67/1006654067.db2.gz YLSWJCWXZFVUNP-UTKZUKDTSA-N 2 2 373.545 2.809 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000104173566 1009931864 /nfs/dbraw/zinc/93/18/64/1009931864.db2.gz UYXCPTKNXQUKEA-CYBMUJFWSA-N 2 2 374.510 2.939 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000104173566 1009931875 /nfs/dbraw/zinc/93/18/75/1009931875.db2.gz UYXCPTKNXQUKEA-CYBMUJFWSA-N 2 2 374.510 2.939 20 30 FFEDLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094079067 1010839092 /nfs/dbraw/zinc/83/90/92/1010839092.db2.gz PLRMXYBDTBWPSJ-MBOZVWFJSA-N 2 2 365.481 2.590 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094452911 1011142165 /nfs/dbraw/zinc/14/21/65/1011142165.db2.gz HMVHRZRFBRNCFN-KVSKMBFKSA-N 2 2 362.905 2.559 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094452911 1011142169 /nfs/dbraw/zinc/14/21/69/1011142169.db2.gz HMVHRZRFBRNCFN-KVSKMBFKSA-N 2 2 362.905 2.559 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094452912 1011142693 /nfs/dbraw/zinc/14/26/93/1011142693.db2.gz HMVHRZRFBRNCFN-SZVBFZGTSA-N 2 2 362.905 2.559 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001094452912 1011142696 /nfs/dbraw/zinc/14/26/96/1011142696.db2.gz HMVHRZRFBRNCFN-SZVBFZGTSA-N 2 2 362.905 2.559 20 30 FFEDLP C=CCOC1CCC([NH+]2CCC[C@]3(C2)COCC[N@@H+](CCOC)C3)CC1 ZINC001173324822 1012443927 /nfs/dbraw/zinc/44/39/27/1012443927.db2.gz VGDFVNXBMMKIOH-CBNMVNINSA-N 2 2 366.546 2.561 20 30 FFEDLP C=CCOC1CCC([NH+]2CCC[C@]3(C2)COCC[N@H+](CCOC)C3)CC1 ZINC001173324822 1012443930 /nfs/dbraw/zinc/44/39/30/1012443930.db2.gz VGDFVNXBMMKIOH-CBNMVNINSA-N 2 2 366.546 2.561 20 30 FFEDLP C=CCOC1CCC([N@@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)CC1 ZINC001173324822 1012443936 /nfs/dbraw/zinc/44/39/36/1012443936.db2.gz VGDFVNXBMMKIOH-CBNMVNINSA-N 2 2 366.546 2.561 20 30 FFEDLP C=CCOC1CCC([N@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)CC1 ZINC001173324822 1012443950 /nfs/dbraw/zinc/44/39/50/1012443950.db2.gz VGDFVNXBMMKIOH-CBNMVNINSA-N 2 2 366.546 2.561 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc4[nH+]ccn4c3)CC2)cc1 ZINC001173429437 1012589003 /nfs/dbraw/zinc/58/90/03/1012589003.db2.gz XELDESHAUQVTQX-UHFFFAOYSA-N 2 2 359.433 2.600 20 30 FFEDLP C=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001047256083 1019063322 /nfs/dbraw/zinc/06/33/22/1019063322.db2.gz GGQRFPYXLIGVSX-IPMKNSEASA-N 2 2 356.514 2.660 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)cc2)CC1 ZINC001098097060 1019509678 /nfs/dbraw/zinc/50/96/78/1019509678.db2.gz SMTUMSXNLXZPQF-NJYVYQBISA-N 2 2 366.509 2.512 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)CC1 ZINC001098097060 1019509690 /nfs/dbraw/zinc/50/96/90/1019509690.db2.gz SMTUMSXNLXZPQF-NJYVYQBISA-N 2 2 366.509 2.512 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001096233910 1019510328 /nfs/dbraw/zinc/51/03/28/1019510328.db2.gz IUNYRBWQYYIFPQ-HKBOAZHASA-N 2 2 366.509 2.512 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001096233910 1019510347 /nfs/dbraw/zinc/51/03/47/1019510347.db2.gz IUNYRBWQYYIFPQ-HKBOAZHASA-N 2 2 366.509 2.512 20 30 FFEDLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001111037329 1020862755 /nfs/dbraw/zinc/86/27/55/1020862755.db2.gz XBJJEJUACDWNNN-ZRNYENFQSA-N 2 2 373.928 2.753 20 30 FFEDLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001111037329 1020862763 /nfs/dbraw/zinc/86/27/63/1020862763.db2.gz XBJJEJUACDWNNN-ZRNYENFQSA-N 2 2 373.928 2.753 20 30 FFEDLP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160950455 1027940149 /nfs/dbraw/zinc/94/01/49/1027940149.db2.gz DELARSSIXMCBJG-SUIZVZERSA-N 2 2 374.488 2.870 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001103748698 1028130546 /nfs/dbraw/zinc/13/05/46/1028130546.db2.gz LZJJKWOWCQEHDY-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001103748698 1028130562 /nfs/dbraw/zinc/13/05/62/1028130562.db2.gz LZJJKWOWCQEHDY-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001103748698 1028130573 /nfs/dbraw/zinc/13/05/73/1028130573.db2.gz LZJJKWOWCQEHDY-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001103748698 1028130581 /nfs/dbraw/zinc/13/05/81/1028130581.db2.gz LZJJKWOWCQEHDY-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC001112439305 1030812228 /nfs/dbraw/zinc/81/22/28/1030812228.db2.gz RZDGNYHXDSSOML-LQWHRVPQSA-N 2 2 356.514 2.630 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001112439314 1030812613 /nfs/dbraw/zinc/81/26/13/1030812613.db2.gz SQYSJGZJSDUYMX-WFXMLNOXSA-N 2 2 356.514 2.630 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1c1ccc(F)cc1 ZINC001205318888 1031668410 /nfs/dbraw/zinc/66/84/10/1031668410.db2.gz TVDSDKIXWAKOBW-VQTJNVASSA-N 2 2 370.472 2.652 20 30 FFEDLP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001223211946 1033335946 /nfs/dbraw/zinc/33/59/46/1033335946.db2.gz SHBDPMWFYQEMSN-UYAOXDASSA-N 2 2 370.541 2.948 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001226355432 1034646046 /nfs/dbraw/zinc/64/60/46/1034646046.db2.gz ICYKCAHOKFMOBI-GPMSIDNRSA-N 2 2 359.518 2.773 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001226355432 1034646052 /nfs/dbraw/zinc/64/60/52/1034646052.db2.gz ICYKCAHOKFMOBI-GPMSIDNRSA-N 2 2 359.518 2.773 20 30 FFEDLP C=CCOc1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001139027820 1034894556 /nfs/dbraw/zinc/89/45/56/1034894556.db2.gz CSXFWTLXWREWTN-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccccc1C[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001139027820 1034894561 /nfs/dbraw/zinc/89/45/61/1034894561.db2.gz CSXFWTLXWREWTN-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001139027820 1034894564 /nfs/dbraw/zinc/89/45/64/1034894564.db2.gz CSXFWTLXWREWTN-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001139027820 1034894569 /nfs/dbraw/zinc/89/45/69/1034894569.db2.gz CSXFWTLXWREWTN-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP N#Cc1ccccc1OC1C[NH+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001237178596 1038465176 /nfs/dbraw/zinc/46/51/76/1038465176.db2.gz FMPCIQSNFYRWOX-UHFFFAOYSA-N 2 2 358.445 2.879 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@H](C#N)C3)CC2)C1 ZINC001254649971 1040856689 /nfs/dbraw/zinc/85/66/89/1040856689.db2.gz WSSLNMOTNGULAO-SZMVWBNQSA-N 2 2 362.518 2.742 20 30 FFEDLP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cccc(F)n2)CC3)cc1C#N ZINC001279225695 1042952725 /nfs/dbraw/zinc/95/27/25/1042952725.db2.gz CRFFZUNGWQBFJV-UHFFFAOYSA-N 2 2 353.445 2.529 20 30 FFEDLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC001279372961 1043035226 /nfs/dbraw/zinc/03/52/26/1043035226.db2.gz NNXQNFBFJDZSTC-UHFFFAOYSA-N 2 2 358.505 2.937 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCC=CO2)C3)cc1C#N ZINC001278138792 1043331154 /nfs/dbraw/zinc/33/11/54/1043331154.db2.gz DPTBLJKZKSTMOT-SFTDATJTSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCC=CO2)C3)cc1C#N ZINC001278138792 1043331161 /nfs/dbraw/zinc/33/11/61/1043331161.db2.gz DPTBLJKZKSTMOT-SFTDATJTSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@@H]2CCC=CO2)C3)cc1C#N ZINC001278138792 1043331170 /nfs/dbraw/zinc/33/11/70/1043331170.db2.gz DPTBLJKZKSTMOT-SFTDATJTSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C[C@@H]2CCC=CO2)C3)cc1C#N ZINC001278138792 1043331180 /nfs/dbraw/zinc/33/11/80/1043331180.db2.gz DPTBLJKZKSTMOT-SFTDATJTSA-N 2 2 354.498 2.877 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001339528152 1043457651 /nfs/dbraw/zinc/45/76/51/1043457651.db2.gz DHDJNWNMEPJFHK-MSOLQXFVSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001339528152 1043457656 /nfs/dbraw/zinc/45/76/56/1043457656.db2.gz DHDJNWNMEPJFHK-MSOLQXFVSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(C)cnc2SC)CC1 ZINC001238720750 1043840972 /nfs/dbraw/zinc/84/09/72/1043840972.db2.gz PWEUYXHWIBVYDT-UHFFFAOYSA-N 2 2 360.571 2.904 20 30 FFEDLP C=CCN(CC=C)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001280317484 1044596389 /nfs/dbraw/zinc/59/63/89/1044596389.db2.gz OTTOYIREPFVOGP-UXHICEINSA-N 2 2 357.502 2.702 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001340390709 1050784246 /nfs/dbraw/zinc/78/42/46/1050784246.db2.gz RWMYLYAPNUJUCZ-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001340390709 1050784261 /nfs/dbraw/zinc/78/42/61/1050784261.db2.gz RWMYLYAPNUJUCZ-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001340390709 1050784272 /nfs/dbraw/zinc/78/42/72/1050784272.db2.gz RWMYLYAPNUJUCZ-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001340390709 1050784284 /nfs/dbraw/zinc/78/42/84/1050784284.db2.gz RWMYLYAPNUJUCZ-ROUUACIJSA-N 2 2 360.550 2.789 20 30 FFEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001303557393 1051386999 /nfs/dbraw/zinc/38/69/99/1051386999.db2.gz CZNAWXNCVMMWSZ-UGKGYDQZSA-N 2 2 367.537 2.543 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001303557393 1051387010 /nfs/dbraw/zinc/38/70/10/1051387010.db2.gz CZNAWXNCVMMWSZ-UGKGYDQZSA-N 2 2 367.537 2.543 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001338749309 1055781224 /nfs/dbraw/zinc/78/12/24/1055781224.db2.gz MFCXXMCURLLUEX-HKUYNNGSSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001338749309 1055781233 /nfs/dbraw/zinc/78/12/33/1055781233.db2.gz MFCXXMCURLLUEX-HKUYNNGSSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001338749309 1055781243 /nfs/dbraw/zinc/78/12/43/1055781243.db2.gz MFCXXMCURLLUEX-HKUYNNGSSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001338749309 1055781253 /nfs/dbraw/zinc/78/12/53/1055781253.db2.gz MFCXXMCURLLUEX-HKUYNNGSSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001200629378 1058850753 /nfs/dbraw/zinc/85/07/53/1058850753.db2.gz ZTHWAZMROVJUPN-IEBWSBKVSA-N 2 2 356.514 2.701 20 30 FFEDLP C[NH+]1CCC2(CC1)CC(=NNCCCn1cc[nH+]c1)c1ccccc1O2 ZINC000848417794 1059972157 /nfs/dbraw/zinc/97/21/57/1059972157.db2.gz FMROSTPEZWRWIU-UHFFFAOYSA-N 2 2 353.470 2.514 20 30 FFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000093017682 508114464 /nfs/dbraw/zinc/11/44/64/508114464.db2.gz JWVFVLBRPIKGKT-IBGZPJMESA-N 2 2 360.498 2.804 20 30 FFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000093017682 508114465 /nfs/dbraw/zinc/11/44/65/508114465.db2.gz JWVFVLBRPIKGKT-IBGZPJMESA-N 2 2 360.498 2.804 20 30 FFEDLP COc1cccc([C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[NH+](C)C)c1 ZINC000083029960 508233660 /nfs/dbraw/zinc/23/36/60/508233660.db2.gz MTQUCUQHGQUAIS-OALUTQOASA-N 2 2 368.481 2.726 20 30 FFEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113334918 508261567 /nfs/dbraw/zinc/26/15/67/508261567.db2.gz UWTZGUZWHJTDMD-HXUWFJFHSA-N 2 2 367.497 2.664 20 30 FFEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113334918 508261570 /nfs/dbraw/zinc/26/15/70/508261570.db2.gz UWTZGUZWHJTDMD-HXUWFJFHSA-N 2 2 367.497 2.664 20 30 FFEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000115543665 508407295 /nfs/dbraw/zinc/40/72/95/508407295.db2.gz WWKVVABPPWTFHZ-IBGZPJMESA-N 2 2 359.433 2.841 20 30 FFEDLP C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000159005084 508779486 /nfs/dbraw/zinc/77/94/86/508779486.db2.gz CQSAUXRWSZIIRE-HKUYNNGSSA-N 2 2 351.454 2.713 20 30 FFEDLP C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000159005084 508779491 /nfs/dbraw/zinc/77/94/91/508779491.db2.gz CQSAUXRWSZIIRE-HKUYNNGSSA-N 2 2 351.454 2.713 20 30 FFEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377718365 512416839 /nfs/dbraw/zinc/41/68/39/512416839.db2.gz FZZWCGWUPVNNCF-CQSZACIVSA-N 2 2 360.255 2.831 20 30 FFEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377718365 512416845 /nfs/dbraw/zinc/41/68/45/512416845.db2.gz FZZWCGWUPVNNCF-CQSZACIVSA-N 2 2 360.255 2.831 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000249426819 509679421 /nfs/dbraw/zinc/67/94/21/509679421.db2.gz IVCPGRMMDIXZMP-LNLFQRSKSA-N 2 2 372.513 2.612 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000249426819 509679431 /nfs/dbraw/zinc/67/94/31/509679431.db2.gz IVCPGRMMDIXZMP-LNLFQRSKSA-N 2 2 372.513 2.612 20 30 FFEDLP Cn1cc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(-c2ccc(C#N)cc2)n1 ZINC000180048906 509726884 /nfs/dbraw/zinc/72/68/84/509726884.db2.gz HQBZTWCZKMAFRZ-UHFFFAOYSA-N 2 2 369.432 2.829 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CN2CCOCC2)c2ccccc2C)CC1 ZINC000183563083 509863555 /nfs/dbraw/zinc/86/35/55/509863555.db2.gz XFQRZJRSPRBRIZ-QFIPXVFZSA-N 2 2 357.542 2.998 20 30 FFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387988 510124674 /nfs/dbraw/zinc/12/46/74/510124674.db2.gz DRZWGZWZIWAMEY-UHFFFAOYSA-N 2 2 360.889 2.958 20 30 FFEDLP CCN(CC)C(=O)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181508572 510444343 /nfs/dbraw/zinc/44/43/43/510444343.db2.gz XDUIMGSRZQUDRX-UHFFFAOYSA-N 2 2 356.514 2.761 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246421762 510482685 /nfs/dbraw/zinc/48/26/85/510482685.db2.gz TXWQVQIPHBUCDP-MOPGFXCFSA-N 2 2 356.514 2.822 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000246421762 510482686 /nfs/dbraw/zinc/48/26/86/510482686.db2.gz TXWQVQIPHBUCDP-MOPGFXCFSA-N 2 2 356.514 2.822 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246509939 510528900 /nfs/dbraw/zinc/52/89/00/510528900.db2.gz IFDOMAOLJDQVKB-MDYRTPRTSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246509939 510528907 /nfs/dbraw/zinc/52/89/07/510528907.db2.gz IFDOMAOLJDQVKB-MDYRTPRTSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246509939 510528916 /nfs/dbraw/zinc/52/89/16/510528916.db2.gz IFDOMAOLJDQVKB-MDYRTPRTSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246509939 510528919 /nfs/dbraw/zinc/52/89/19/510528919.db2.gz IFDOMAOLJDQVKB-MDYRTPRTSA-N 2 2 352.482 2.834 20 30 FFEDLP C[N@H+](CC#Cc1ccc(F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276668 510682213 /nfs/dbraw/zinc/68/22/13/510682213.db2.gz SOXYSCDMOXKDCZ-QFIPXVFZSA-N 2 2 352.453 2.746 20 30 FFEDLP C[N@@H+](CC#Cc1ccc(F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276668 510682224 /nfs/dbraw/zinc/68/22/24/510682224.db2.gz SOXYSCDMOXKDCZ-QFIPXVFZSA-N 2 2 352.453 2.746 20 30 FFEDLP C[NH+](CC#Cc1ccc(F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188276668 510682233 /nfs/dbraw/zinc/68/22/33/510682233.db2.gz SOXYSCDMOXKDCZ-QFIPXVFZSA-N 2 2 352.453 2.746 20 30 FFEDLP C[NH+](CC#Cc1ccc(F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188276668 510682241 /nfs/dbraw/zinc/68/22/41/510682241.db2.gz SOXYSCDMOXKDCZ-QFIPXVFZSA-N 2 2 352.453 2.746 20 30 FFEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000302 510701141 /nfs/dbraw/zinc/70/11/41/510701141.db2.gz QEBJCOWZBJXQOU-DYESRHJHSA-N 2 2 365.477 2.659 20 30 FFEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000302 510701147 /nfs/dbraw/zinc/70/11/47/510701147.db2.gz QEBJCOWZBJXQOU-DYESRHJHSA-N 2 2 365.477 2.659 20 30 FFEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247671440 510868303 /nfs/dbraw/zinc/86/83/03/510868303.db2.gz QXBLQGHRBSVULG-CXAGYDPISA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247671440 510868304 /nfs/dbraw/zinc/86/83/04/510868304.db2.gz QXBLQGHRBSVULG-CXAGYDPISA-N 2 2 357.845 2.930 20 30 FFEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575609 510998975 /nfs/dbraw/zinc/99/89/75/510998975.db2.gz JREIKDUNZFWRKW-HSALFYBXSA-N 2 2 353.514 2.608 20 30 FFEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575609 510998976 /nfs/dbraw/zinc/99/89/76/510998976.db2.gz JREIKDUNZFWRKW-HSALFYBXSA-N 2 2 353.514 2.608 20 30 FFEDLP C=C(CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000287626507 511054085 /nfs/dbraw/zinc/05/40/85/511054085.db2.gz SVUKUAFNFMYYOV-UHFFFAOYSA-N 2 2 356.514 2.558 20 30 FFEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)C(F)(F)F ZINC000271909165 511367531 /nfs/dbraw/zinc/36/75/31/511367531.db2.gz XMJRHGLFXAIIFR-SJORKVTESA-N 2 2 355.404 2.814 20 30 FFEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000365739105 511630191 /nfs/dbraw/zinc/63/01/91/511630191.db2.gz HEDYWBSTSUJUAQ-NHCUHLMSSA-N 2 2 368.525 2.747 20 30 FFEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000365739105 511630194 /nfs/dbraw/zinc/63/01/94/511630194.db2.gz HEDYWBSTSUJUAQ-NHCUHLMSSA-N 2 2 368.525 2.747 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292830270 511737788 /nfs/dbraw/zinc/73/77/88/511737788.db2.gz ALRZJQLOGXVGPE-LAUBAEHRSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292830270 511737793 /nfs/dbraw/zinc/73/77/93/511737793.db2.gz ALRZJQLOGXVGPE-LAUBAEHRSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292830270 511737795 /nfs/dbraw/zinc/73/77/95/511737795.db2.gz ALRZJQLOGXVGPE-LAUBAEHRSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292830270 511737802 /nfs/dbraw/zinc/73/78/02/511737802.db2.gz ALRZJQLOGXVGPE-LAUBAEHRSA-N 2 2 372.488 2.879 20 30 FFEDLP O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000328827992 511937868 /nfs/dbraw/zinc/93/78/68/511937868.db2.gz SVMDUCRDNFHYTN-MOPGFXCFSA-N 2 2 361.461 2.517 20 30 FFEDLP O=C(C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000328827992 511937871 /nfs/dbraw/zinc/93/78/71/511937871.db2.gz SVMDUCRDNFHYTN-MOPGFXCFSA-N 2 2 361.461 2.517 20 30 FFEDLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000329382230 512036961 /nfs/dbraw/zinc/03/69/61/512036961.db2.gz OAWZSRNLLIQADW-WBVHZDCISA-N 2 2 361.877 2.865 20 30 FFEDLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000329382230 512036972 /nfs/dbraw/zinc/03/69/72/512036972.db2.gz OAWZSRNLLIQADW-WBVHZDCISA-N 2 2 361.877 2.865 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c(OC)c1 ZINC000374620538 512920803 /nfs/dbraw/zinc/92/08/03/512920803.db2.gz GINBNGDPJKNACT-IBGZPJMESA-N 2 2 374.525 2.724 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC3(CCC[N@H+]3C)CC2)c(OC)c1 ZINC000374620538 512920810 /nfs/dbraw/zinc/92/08/10/512920810.db2.gz GINBNGDPJKNACT-IBGZPJMESA-N 2 2 374.525 2.724 20 30 FFEDLP Cc1ccc(C2CC[NH+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c[nH+]1 ZINC000374680562 512951338 /nfs/dbraw/zinc/95/13/38/512951338.db2.gz QUBHLKRUYMHXFA-FQEVSTJZSA-N 2 2 374.444 2.773 20 30 FFEDLP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000415923591 513481566 /nfs/dbraw/zinc/48/15/66/513481566.db2.gz WSKHBLVMEGEHGD-UHFFFAOYSA-N 2 2 363.465 2.627 20 30 FFEDLP C=CCOc1ccccc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422003179 513514774 /nfs/dbraw/zinc/51/47/74/513514774.db2.gz CMELIGVHGZYNMB-UHFFFAOYSA-N 2 2 371.525 2.884 20 30 FFEDLP C=CCOc1ccccc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422003179 513514777 /nfs/dbraw/zinc/51/47/77/513514777.db2.gz CMELIGVHGZYNMB-UHFFFAOYSA-N 2 2 371.525 2.884 20 30 FFEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000419286868 513763882 /nfs/dbraw/zinc/76/38/82/513763882.db2.gz GCXIJZCOFJQDDG-QGZVFWFLSA-N 2 2 354.498 2.928 20 30 FFEDLP C[N@H+](CCC#N)C[C@H](O)Cn1cc[nH+]c1-c1cccc(Br)c1 ZINC000414155935 513994079 /nfs/dbraw/zinc/99/40/79/513994079.db2.gz UGSHEKAGOGUXPY-HNNXBMFYSA-N 2 2 363.259 2.519 20 30 FFEDLP C[N@@H+](CCC#N)C[C@H](O)Cn1cc[nH+]c1-c1cccc(Br)c1 ZINC000414155935 513994084 /nfs/dbraw/zinc/99/40/84/513994084.db2.gz UGSHEKAGOGUXPY-HNNXBMFYSA-N 2 2 363.259 2.519 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475742418 514789542 /nfs/dbraw/zinc/78/95/42/514789542.db2.gz PTVAZKVZSSSLQZ-DENIHFKCSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475742418 514789549 /nfs/dbraw/zinc/78/95/49/514789549.db2.gz PTVAZKVZSSSLQZ-DENIHFKCSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475742418 514789556 /nfs/dbraw/zinc/78/95/56/514789556.db2.gz PTVAZKVZSSSLQZ-DENIHFKCSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475742418 514789561 /nfs/dbraw/zinc/78/95/61/514789561.db2.gz PTVAZKVZSSSLQZ-DENIHFKCSA-N 2 2 368.525 2.735 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852442 515088603 /nfs/dbraw/zinc/08/86/03/515088603.db2.gz HPMFWIDTUYFITM-DYXWJJEUSA-N 2 2 362.562 2.873 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852442 515088611 /nfs/dbraw/zinc/08/86/11/515088611.db2.gz HPMFWIDTUYFITM-DYXWJJEUSA-N 2 2 362.562 2.873 20 30 FFEDLP C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000499065110 515185467 /nfs/dbraw/zinc/18/54/67/515185467.db2.gz PLPBDJQHANGYRY-AWEZNQCLSA-N 2 2 355.935 2.942 20 30 FFEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000499065110 515185476 /nfs/dbraw/zinc/18/54/76/515185476.db2.gz PLPBDJQHANGYRY-AWEZNQCLSA-N 2 2 355.935 2.942 20 30 FFEDLP CC(C)c1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000462777512 515238554 /nfs/dbraw/zinc/23/85/54/515238554.db2.gz IOFODEHLXGMCKO-UHFFFAOYSA-N 2 2 364.497 2.860 20 30 FFEDLP C[C@H]1C[NH+](CC2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000459323570 515470881 /nfs/dbraw/zinc/47/08/81/515470881.db2.gz JPGUZKOGKSSABI-HOTGVXAUSA-N 2 2 372.469 2.788 20 30 FFEDLP C=C(C)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cnn(C(C)C)c1 ZINC000512527564 516300619 /nfs/dbraw/zinc/30/06/19/516300619.db2.gz UPAFQIFTCBGSIS-UHFFFAOYSA-N 2 2 373.545 2.585 20 30 FFEDLP C=C(C)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cnn(C(C)C)c1 ZINC000512527564 516300624 /nfs/dbraw/zinc/30/06/24/516300624.db2.gz UPAFQIFTCBGSIS-UHFFFAOYSA-N 2 2 373.545 2.585 20 30 FFEDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1F ZINC000512670667 516319701 /nfs/dbraw/zinc/31/97/01/516319701.db2.gz AVDTZQVZERTCAX-KRWDZBQOSA-N 3 2 367.472 2.955 20 30 FFEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000528517089 516496946 /nfs/dbraw/zinc/49/69/46/516496946.db2.gz HEGULJJVNQLFIT-NRFANRHFSA-N 2 2 365.477 2.552 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@](C)(C#N)C3CC3)C2)s1 ZINC000518007892 516520117 /nfs/dbraw/zinc/52/01/17/516520117.db2.gz PCZLSHOFBDEPOB-OXQOHEQNSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@](C)(C#N)C3CC3)C2)s1 ZINC000518007892 516520125 /nfs/dbraw/zinc/52/01/25/516520125.db2.gz PCZLSHOFBDEPOB-OXQOHEQNSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@](C)(C#N)C3CC3)C2)s1 ZINC000518007892 516520132 /nfs/dbraw/zinc/52/01/32/516520132.db2.gz PCZLSHOFBDEPOB-OXQOHEQNSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@](C)(C#N)C3CC3)C2)s1 ZINC000518007892 516520137 /nfs/dbraw/zinc/52/01/37/516520137.db2.gz PCZLSHOFBDEPOB-OXQOHEQNSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2c1 ZINC000540942202 516788259 /nfs/dbraw/zinc/78/82/59/516788259.db2.gz BTOCHMOAIJOYNG-LJQANCHMSA-N 2 2 359.433 2.800 20 30 FFEDLP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000543280139 518001656 /nfs/dbraw/zinc/00/16/56/518001656.db2.gz LIWDOCJULRZUKP-QGZVFWFLSA-N 2 2 369.513 2.597 20 30 FFEDLP Cc1c[nH+]c2cc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccn12 ZINC000572898968 518412206 /nfs/dbraw/zinc/41/22/06/518412206.db2.gz PIYPEZOTOWTNAL-UHFFFAOYSA-N 2 2 373.460 2.931 20 30 FFEDLP C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000571047053 518902019 /nfs/dbraw/zinc/90/20/19/518902019.db2.gz HGHPXMIMZGBJFG-GOSISDBHSA-N 2 2 360.465 2.555 20 30 FFEDLP C[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000571047053 518902024 /nfs/dbraw/zinc/90/20/24/518902024.db2.gz HGHPXMIMZGBJFG-GOSISDBHSA-N 2 2 360.465 2.555 20 30 FFEDLP C[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571047053 518902027 /nfs/dbraw/zinc/90/20/27/518902027.db2.gz HGHPXMIMZGBJFG-GOSISDBHSA-N 2 2 360.465 2.555 20 30 FFEDLP C[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571047053 518902038 /nfs/dbraw/zinc/90/20/38/518902038.db2.gz HGHPXMIMZGBJFG-GOSISDBHSA-N 2 2 360.465 2.555 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582912195 518981686 /nfs/dbraw/zinc/98/16/86/518981686.db2.gz WXFSOMAGXYTUGN-BHIFYINESA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582912195 518981694 /nfs/dbraw/zinc/98/16/94/518981694.db2.gz WXFSOMAGXYTUGN-BHIFYINESA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582912195 518981702 /nfs/dbraw/zinc/98/17/02/518981702.db2.gz WXFSOMAGXYTUGN-BHIFYINESA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582912195 518981707 /nfs/dbraw/zinc/98/17/07/518981707.db2.gz WXFSOMAGXYTUGN-BHIFYINESA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c[nH+]cn3Cc3ccccc3)C2)nc1 ZINC000571235410 518993131 /nfs/dbraw/zinc/99/31/31/518993131.db2.gz SYWDUGJDDOWIFJ-HXUWFJFHSA-N 2 2 359.433 2.851 20 30 FFEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c[nH+]cn3Cc3ccccc3)C2)nc1 ZINC000571235410 518993134 /nfs/dbraw/zinc/99/31/34/518993134.db2.gz SYWDUGJDDOWIFJ-HXUWFJFHSA-N 2 2 359.433 2.851 20 30 FFEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000569323743 519492387 /nfs/dbraw/zinc/49/23/87/519492387.db2.gz NZLXQSRVMRNKTK-LEWJYISDSA-N 2 2 366.509 2.948 20 30 FFEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000569323743 519492393 /nfs/dbraw/zinc/49/23/93/519492393.db2.gz NZLXQSRVMRNKTK-LEWJYISDSA-N 2 2 366.509 2.948 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602975711 520000651 /nfs/dbraw/zinc/00/06/51/520000651.db2.gz GHPBMHBIHRLXDB-WIYYLYMNSA-N 2 2 368.525 2.700 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602975711 520000658 /nfs/dbraw/zinc/00/06/58/520000658.db2.gz GHPBMHBIHRLXDB-WIYYLYMNSA-N 2 2 368.525 2.700 20 30 FFEDLP N#CC1(c2ccc(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594920353 520218481 /nfs/dbraw/zinc/21/84/81/520218481.db2.gz DYWBCMPVXCFGAT-HSZRJFAPSA-N 2 2 361.489 2.968 20 30 FFEDLP N#CC1(c2ccc(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594920353 520218486 /nfs/dbraw/zinc/21/84/86/520218486.db2.gz DYWBCMPVXCFGAT-HSZRJFAPSA-N 2 2 361.489 2.968 20 30 FFEDLP C[C@@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000600736398 520435898 /nfs/dbraw/zinc/43/58/98/520435898.db2.gz YIGPVWZEITVEFA-SFTDATJTSA-N 2 2 371.525 2.702 20 30 FFEDLP C[C@@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000600736398 520435901 /nfs/dbraw/zinc/43/59/01/520435901.db2.gz YIGPVWZEITVEFA-SFTDATJTSA-N 2 2 371.525 2.702 20 30 FFEDLP N#CC1(C[C@H](O)C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCOCC1 ZINC000600739056 520438213 /nfs/dbraw/zinc/43/82/13/520438213.db2.gz NLGAXQQCJQOEFF-HNNXBMFYSA-N 2 2 374.872 2.687 20 30 FFEDLP C[NH+]1CCC(CNc2nc3ncccc3cc2C#N)([NH+]2CCCCC2)CC1 ZINC000596139358 520935060 /nfs/dbraw/zinc/93/50/60/520935060.db2.gz RRGOZBQLKDCWPO-UHFFFAOYSA-N 2 2 364.497 2.864 20 30 FFEDLP CC(C)C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC000602087483 521134699 /nfs/dbraw/zinc/13/46/99/521134699.db2.gz HVVIXYXNSKVGKJ-HXUWFJFHSA-N 2 2 367.497 2.932 20 30 FFEDLP COCCCn1nccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693328 521160226 /nfs/dbraw/zinc/16/02/26/521160226.db2.gz UMWIZYPXPQYMJY-UHFFFAOYSA-N 2 2 367.497 2.545 20 30 FFEDLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602706309 521487436 /nfs/dbraw/zinc/48/74/36/521487436.db2.gz NSJUBQDNIHCDMG-OXJNMPFZSA-N 2 2 354.498 2.560 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619722905 521838146 /nfs/dbraw/zinc/83/81/46/521838146.db2.gz WNUSFCQROPJHOK-LZJOCLMNSA-N 2 2 371.529 2.842 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619722905 521838161 /nfs/dbraw/zinc/83/81/61/521838161.db2.gz WNUSFCQROPJHOK-LZJOCLMNSA-N 2 2 371.529 2.842 20 30 FFEDLP [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)N1CCSCC1 ZINC000104166558 728500971 /nfs/dbraw/zinc/50/09/71/728500971.db2.gz CETSRTTZEDEHBB-INIZCTEOSA-N 2 2 352.935 2.840 20 30 FFEDLP CCOCCCNC(=[NH2+])NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183891014 729315790 /nfs/dbraw/zinc/31/57/90/729315790.db2.gz AEADGNFCEQPFPV-OAHLLOKOSA-N 2 2 360.424 2.639 20 30 FFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1cccs1 ZINC000262272715 729662991 /nfs/dbraw/zinc/66/29/91/729662991.db2.gz KPYLTRJXLZFUBY-AWEZNQCLSA-N 2 2 360.483 2.939 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(C#N)cnc3Cl)CC2)CC1 ZINC000877596496 732395476 /nfs/dbraw/zinc/39/54/76/732395476.db2.gz SUDMXTHIOSRMIN-UHFFFAOYSA-N 2 2 361.921 2.599 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(C#N)cnc3Cl)CC2)CC1 ZINC000877596496 732395483 /nfs/dbraw/zinc/39/54/83/732395483.db2.gz SUDMXTHIOSRMIN-UHFFFAOYSA-N 2 2 361.921 2.599 20 30 FFEDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(SC)c(C#N)c2)CC1 ZINC000895776317 735054335 /nfs/dbraw/zinc/05/43/35/735054335.db2.gz CABGCUSYNJLZLZ-UHFFFAOYSA-N 2 2 361.511 2.787 20 30 FFEDLP C=C(Cl)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001039297412 742990433 /nfs/dbraw/zinc/99/04/33/742990433.db2.gz YCOKHNKYHFUXKL-SLUKUZTOSA-N 2 2 362.905 2.778 20 30 FFEDLP C[NH+]=C(NCc1ccco1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000849103333 749051165 /nfs/dbraw/zinc/05/11/65/749051165.db2.gz OEEXTZHSMCKGLJ-QGZVFWFLSA-N 2 2 358.511 2.562 20 30 FFEDLP C[NH+]=C(NCc1ccco1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000849103333 749051168 /nfs/dbraw/zinc/05/11/68/749051168.db2.gz OEEXTZHSMCKGLJ-QGZVFWFLSA-N 2 2 358.511 2.562 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960680767 1013448316 /nfs/dbraw/zinc/44/83/16/1013448316.db2.gz PBAJSOBAZRJADO-IPMKNSEASA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960680767 1013448319 /nfs/dbraw/zinc/44/83/19/1013448319.db2.gz PBAJSOBAZRJADO-IPMKNSEASA-N 2 2 363.465 2.508 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087173894 965078546 /nfs/dbraw/zinc/07/85/46/965078546.db2.gz UUSBCANPNMKJSP-UZLBHIALSA-N 2 2 365.481 2.631 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001087173894 965078552 /nfs/dbraw/zinc/07/85/52/965078552.db2.gz UUSBCANPNMKJSP-UZLBHIALSA-N 2 2 365.481 2.631 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087196490 965887258 /nfs/dbraw/zinc/88/72/58/965887258.db2.gz SGIIMUIYZUDFPO-XLIONFOSSA-N 2 2 365.481 2.562 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC001211673285 974761495 /nfs/dbraw/zinc/76/14/95/974761495.db2.gz AJVWULKCZQLHBD-CMKODMSKSA-N 2 2 364.493 2.990 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680363 975076219 /nfs/dbraw/zinc/07/62/19/975076219.db2.gz STRFQQNYQPGPEE-LSTHTHJFSA-N 2 2 352.482 2.891 20 30 FFEDLP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001105427415 979691541 /nfs/dbraw/zinc/69/15/41/979691541.db2.gz LEDYMGFTXDXREU-YXTQBTIXSA-N 2 2 364.493 2.896 20 30 FFEDLP C=C(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001105427415 979691547 /nfs/dbraw/zinc/69/15/47/979691547.db2.gz LEDYMGFTXDXREU-YXTQBTIXSA-N 2 2 364.493 2.896 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651784 984930575 /nfs/dbraw/zinc/93/05/75/984930575.db2.gz FJRGCCLXBPGZST-SJLPKXTDSA-N 2 2 350.894 2.777 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001107651784 984930580 /nfs/dbraw/zinc/93/05/80/984930580.db2.gz FJRGCCLXBPGZST-SJLPKXTDSA-N 2 2 350.894 2.777 20 30 FFEDLP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897053 985374914 /nfs/dbraw/zinc/37/49/14/985374914.db2.gz PRROBAQRWREOJZ-URVUXULASA-N 2 2 367.537 2.882 20 30 FFEDLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897053 985374926 /nfs/dbraw/zinc/37/49/26/985374926.db2.gz PRROBAQRWREOJZ-URVUXULASA-N 2 2 367.537 2.882 20 30 FFEDLP Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1C#N ZINC000922758419 988881465 /nfs/dbraw/zinc/88/14/65/988881465.db2.gz BYRMZMZARPSDSD-UHFFFAOYSA-N 2 2 365.477 2.868 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033835692 989748492 /nfs/dbraw/zinc/74/84/92/989748492.db2.gz CNQYLYJNQZBFDC-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033835692 989748500 /nfs/dbraw/zinc/74/85/00/989748500.db2.gz CNQYLYJNQZBFDC-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033839556 989754097 /nfs/dbraw/zinc/75/40/97/989754097.db2.gz XNWSDIFRYULMNN-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033839556 989754107 /nfs/dbraw/zinc/75/41/07/989754107.db2.gz XNWSDIFRYULMNN-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001079162597 991868908 /nfs/dbraw/zinc/86/89/08/991868908.db2.gz SCLNASITPCCRGH-RBUKOAKNSA-N 2 2 356.445 2.573 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962399 992600635 /nfs/dbraw/zinc/60/06/35/992600635.db2.gz HHASUMVHEFKALS-JLTOFOAXSA-N 2 2 359.433 2.685 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962399 992600638 /nfs/dbraw/zinc/60/06/38/992600638.db2.gz HHASUMVHEFKALS-JLTOFOAXSA-N 2 2 359.433 2.685 20 30 FFEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001080017709 992654360 /nfs/dbraw/zinc/65/43/60/992654360.db2.gz STZJKTNJAVRBEO-DUXKGJEZSA-N 2 2 368.525 2.615 20 30 FFEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001080017709 992654364 /nfs/dbraw/zinc/65/43/64/992654364.db2.gz STZJKTNJAVRBEO-DUXKGJEZSA-N 2 2 368.525 2.615 20 30 FFEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080017709 992654366 /nfs/dbraw/zinc/65/43/66/992654366.db2.gz STZJKTNJAVRBEO-DUXKGJEZSA-N 2 2 368.525 2.615 20 30 FFEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080017709 992654368 /nfs/dbraw/zinc/65/43/68/992654368.db2.gz STZJKTNJAVRBEO-DUXKGJEZSA-N 2 2 368.525 2.615 20 30 FFEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001080017710 992654462 /nfs/dbraw/zinc/65/44/62/992654462.db2.gz STZJKTNJAVRBEO-UIFIKXQLSA-N 2 2 368.525 2.615 20 30 FFEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1C ZINC001080017710 992654466 /nfs/dbraw/zinc/65/44/66/992654466.db2.gz STZJKTNJAVRBEO-UIFIKXQLSA-N 2 2 368.525 2.615 20 30 FFEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080017710 992654472 /nfs/dbraw/zinc/65/44/72/992654472.db2.gz STZJKTNJAVRBEO-UIFIKXQLSA-N 2 2 368.525 2.615 20 30 FFEDLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC001080017710 992654475 /nfs/dbraw/zinc/65/44/75/992654475.db2.gz STZJKTNJAVRBEO-UIFIKXQLSA-N 2 2 368.525 2.615 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C)([NH+]3CCC3)CC2)c(OC)c1 ZINC000880470424 1015844328 /nfs/dbraw/zinc/84/43/28/1015844328.db2.gz IFRBMDZNYCCKJC-IBGZPJMESA-N 2 2 374.525 2.724 20 30 FFEDLP C=C(Br)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001082593535 995011498 /nfs/dbraw/zinc/01/14/98/995011498.db2.gz OMFCEXLAHKRBGN-MEBBXXQBSA-N 2 2 363.259 2.522 20 30 FFEDLP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001054133469 1015943567 /nfs/dbraw/zinc/94/35/67/1015943567.db2.gz DGBPWFDYBUBHLJ-KNKQGSTJSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001054133469 1015943577 /nfs/dbraw/zinc/94/35/77/1015943577.db2.gz DGBPWFDYBUBHLJ-KNKQGSTJSA-N 2 2 368.525 2.654 20 30 FFEDLP CCCC[N@H+](C)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766637044 1000034024 /nfs/dbraw/zinc/03/40/24/1000034024.db2.gz LOSBTEDEVJNGNU-UHFFFAOYSA-N 2 2 356.514 2.610 20 30 FFEDLP CCCC[N@@H+](C)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766637044 1000034026 /nfs/dbraw/zinc/03/40/26/1000034026.db2.gz LOSBTEDEVJNGNU-UHFFFAOYSA-N 2 2 356.514 2.610 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001109460830 1000518092 /nfs/dbraw/zinc/51/80/92/1000518092.db2.gz BHXIUQDEROQMNO-HNJRGHQBSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001109460830 1000518097 /nfs/dbraw/zinc/51/80/97/1000518097.db2.gz BHXIUQDEROQMNO-HNJRGHQBSA-N 2 2 356.514 2.913 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001109685949 1000845439 /nfs/dbraw/zinc/84/54/39/1000845439.db2.gz MXOFNVIQXXAKAC-BTHPGYMESA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001109685949 1000845450 /nfs/dbraw/zinc/84/54/50/1000845450.db2.gz MXOFNVIQXXAKAC-BTHPGYMESA-N 2 2 372.488 2.505 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970159 1001212548 /nfs/dbraw/zinc/21/25/48/1001212548.db2.gz QESOSMQOJODBOJ-YKCBXCCJSA-N 2 2 365.481 2.957 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970159 1001212554 /nfs/dbraw/zinc/21/25/54/1001212554.db2.gz QESOSMQOJODBOJ-YKCBXCCJSA-N 2 2 365.481 2.957 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@]2(C)C1 ZINC001092097544 1002404563 /nfs/dbraw/zinc/40/45/63/1002404563.db2.gz ABBBVPISSLEDOE-UTKZUKDTSA-N 2 2 352.482 2.542 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4cccc(C)c4[nH+]3)C[C@]2(C)C1 ZINC001092097544 1002404568 /nfs/dbraw/zinc/40/45/68/1002404568.db2.gz ABBBVPISSLEDOE-UTKZUKDTSA-N 2 2 352.482 2.542 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C\c3ccccc3C#N)CC2)CC1 ZINC000817659654 1007692340 /nfs/dbraw/zinc/69/23/40/1007692340.db2.gz WWMRWKAMEPIRQY-HJWRWDBZSA-N 2 2 366.509 2.590 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C\c3ccccc3C#N)CC2)CC1 ZINC000817659654 1007692345 /nfs/dbraw/zinc/69/23/45/1007692345.db2.gz WWMRWKAMEPIRQY-HJWRWDBZSA-N 2 2 366.509 2.590 20 30 FFEDLP C#CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000775399877 1007718402 /nfs/dbraw/zinc/71/84/02/1007718402.db2.gz VORFBYYOPOQIRM-JOCHJYFZSA-N 2 2 361.489 2.685 20 30 FFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172306313 1011737562 /nfs/dbraw/zinc/73/75/62/1011737562.db2.gz WLFCCXVEXYATDW-WTOYTKOKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172306313 1011737575 /nfs/dbraw/zinc/73/75/75/1011737575.db2.gz WLFCCXVEXYATDW-WTOYTKOKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172306313 1011737589 /nfs/dbraw/zinc/73/75/89/1011737589.db2.gz WLFCCXVEXYATDW-WTOYTKOKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001172306313 1011737598 /nfs/dbraw/zinc/73/75/98/1011737598.db2.gz WLFCCXVEXYATDW-WTOYTKOKSA-N 2 2 363.509 2.677 20 30 FFEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001097177553 1017149956 /nfs/dbraw/zinc/14/99/56/1017149956.db2.gz TZRUHRPFNZGHBO-YUMYIRISSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001097177553 1017149967 /nfs/dbraw/zinc/14/99/67/1017149967.db2.gz TZRUHRPFNZGHBO-YUMYIRISSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097177553 1017149979 /nfs/dbraw/zinc/14/99/79/1017149979.db2.gz TZRUHRPFNZGHBO-YUMYIRISSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097177553 1017149991 /nfs/dbraw/zinc/14/99/91/1017149991.db2.gz TZRUHRPFNZGHBO-YUMYIRISSA-N 2 2 365.521 2.634 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC001052460652 1017424519 /nfs/dbraw/zinc/42/45/19/1017424519.db2.gz BVQVIQYJDCMYTJ-IPMKNSEASA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC001052460652 1017424520 /nfs/dbraw/zinc/42/45/20/1017424520.db2.gz BVQVIQYJDCMYTJ-IPMKNSEASA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC001052460652 1017424524 /nfs/dbraw/zinc/42/45/24/1017424524.db2.gz BVQVIQYJDCMYTJ-IPMKNSEASA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC001052460652 1017424527 /nfs/dbraw/zinc/42/45/27/1017424527.db2.gz BVQVIQYJDCMYTJ-IPMKNSEASA-N 2 2 363.465 2.556 20 30 FFEDLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cc(C#N)ccn1 ZINC000902766237 1020462487 /nfs/dbraw/zinc/46/24/87/1020462487.db2.gz GPPHEYFRXOVRPM-KRWDZBQOSA-N 2 2 366.465 2.515 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001098911332 1021395810 /nfs/dbraw/zinc/39/58/10/1021395810.db2.gz SHKVTYOFTJZSLR-FIKGOQFSSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001098911332 1021395828 /nfs/dbraw/zinc/39/58/28/1021395828.db2.gz SHKVTYOFTJZSLR-FIKGOQFSSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001098911332 1021395844 /nfs/dbraw/zinc/39/58/44/1021395844.db2.gz SHKVTYOFTJZSLR-FIKGOQFSSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001098911332 1021395852 /nfs/dbraw/zinc/39/58/52/1021395852.db2.gz SHKVTYOFTJZSLR-FIKGOQFSSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001099117456 1021845917 /nfs/dbraw/zinc/84/59/17/1021845917.db2.gz HKKHUCRCZOTHTM-UWJYYQICSA-N 2 2 365.481 2.818 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001099117456 1021845933 /nfs/dbraw/zinc/84/59/33/1021845933.db2.gz HKKHUCRCZOTHTM-UWJYYQICSA-N 2 2 365.481 2.818 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2([NH+](C)C)CCCC2)CC1=O ZINC000752718016 1023195918 /nfs/dbraw/zinc/19/59/18/1023195918.db2.gz KPLFCLBPOZSCGZ-UHFFFAOYSA-N 2 2 367.497 2.521 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001122440897 1023270851 /nfs/dbraw/zinc/27/08/51/1023270851.db2.gz LXAMEPVKUOLHCJ-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001122440897 1023270857 /nfs/dbraw/zinc/27/08/57/1023270857.db2.gz LXAMEPVKUOLHCJ-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001223013070 1033241043 /nfs/dbraw/zinc/24/10/43/1033241043.db2.gz JROHXXXIAZRRAY-UWVAXJGDSA-N 2 2 356.514 2.712 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001223013070 1033241056 /nfs/dbraw/zinc/24/10/56/1033241056.db2.gz JROHXXXIAZRRAY-UWVAXJGDSA-N 2 2 356.514 2.712 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001223013070 1033241069 /nfs/dbraw/zinc/24/10/69/1033241069.db2.gz JROHXXXIAZRRAY-UWVAXJGDSA-N 2 2 356.514 2.712 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001223013070 1033241084 /nfs/dbraw/zinc/24/10/84/1033241084.db2.gz JROHXXXIAZRRAY-UWVAXJGDSA-N 2 2 356.514 2.712 20 30 FFEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1C#N ZINC000246044170 1025712001 /nfs/dbraw/zinc/71/20/01/1025712001.db2.gz BPUWZOWPWOYPMH-OXJNMPFZSA-N 2 2 350.466 2.962 20 30 FFEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1C#N ZINC000246044170 1025712008 /nfs/dbraw/zinc/71/20/08/1025712008.db2.gz BPUWZOWPWOYPMH-OXJNMPFZSA-N 2 2 350.466 2.962 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103162617 1027017965 /nfs/dbraw/zinc/01/79/65/1027017965.db2.gz DDKOXMAEVJPNQV-UHOFOFEASA-N 2 2 364.921 2.650 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103162617 1027017973 /nfs/dbraw/zinc/01/79/73/1027017973.db2.gz DDKOXMAEVJPNQV-UHOFOFEASA-N 2 2 364.921 2.650 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103162617 1027017979 /nfs/dbraw/zinc/01/79/79/1027017979.db2.gz DDKOXMAEVJPNQV-UHOFOFEASA-N 2 2 364.921 2.650 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103162617 1027017985 /nfs/dbraw/zinc/01/79/85/1027017985.db2.gz DDKOXMAEVJPNQV-UHOFOFEASA-N 2 2 364.921 2.650 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2cc(OC)c(OC)cc2[nH+]1 ZINC001159925366 1027536497 /nfs/dbraw/zinc/53/64/97/1027536497.db2.gz IQTRTIDZXOBUNT-HNNXBMFYSA-N 2 2 373.453 2.891 20 30 FFEDLP C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160950451 1027939833 /nfs/dbraw/zinc/93/98/33/1027939833.db2.gz DELARSSIXMCBJG-NCDVDMNXSA-N 2 2 374.488 2.870 20 30 FFEDLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]Cc1ccc(C#N)s1 ZINC001104133525 1028600323 /nfs/dbraw/zinc/60/03/23/1028600323.db2.gz YBCOTRIWCVNOTE-HUUCEWRRSA-N 2 2 371.510 2.550 20 30 FFEDLP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001228853574 1036361900 /nfs/dbraw/zinc/36/19/00/1036361900.db2.gz SKYGPLAKXBYXIA-RBSFLKMASA-N 2 2 369.307 2.760 20 30 FFEDLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001230019434 1037036007 /nfs/dbraw/zinc/03/60/07/1037036007.db2.gz YWQKKYHEGWZLDE-QZTJIDSGSA-N 2 2 371.510 2.503 20 30 FFEDLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC001230347952 1037241872 /nfs/dbraw/zinc/24/18/72/1037241872.db2.gz OBZAARPIJLCETN-RTBURBONSA-N 2 2 370.884 2.605 20 30 FFEDLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3CC#N)CC2)CC1 ZINC001235518249 1037603464 /nfs/dbraw/zinc/60/34/64/1037603464.db2.gz NVPXXJDCCRUOAL-UHFFFAOYSA-N 2 2 368.525 2.517 20 30 FFEDLP Cc1cnc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)s1 ZINC001278720622 1040175329 /nfs/dbraw/zinc/17/53/29/1040175329.db2.gz RQMCRLQHUXRTQG-UHFFFAOYSA-N 2 2 355.511 2.760 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cn(C)nc2[C@@H](C)CC)CC1 ZINC001249409504 1040731937 /nfs/dbraw/zinc/73/19/37/1040731937.db2.gz BLWQKRYVARWHCH-IBGZPJMESA-N 2 2 359.562 2.725 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(F)cc(N(C)C)c2)CC1 ZINC001249959714 1041077305 /nfs/dbraw/zinc/07/73/05/1041077305.db2.gz PGETUWHGKRVIAG-UHFFFAOYSA-N 2 2 360.521 2.683 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001264447661 1042675574 /nfs/dbraw/zinc/67/55/74/1042675574.db2.gz IQKCMCHISXOYJL-VQTJNVASSA-N 2 2 352.482 2.513 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001264447661 1042675577 /nfs/dbraw/zinc/67/55/77/1042675577.db2.gz IQKCMCHISXOYJL-VQTJNVASSA-N 2 2 352.482 2.513 20 30 FFEDLP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2ccc(F)cn2)CC3)cc1C#N ZINC001279418140 1043088357 /nfs/dbraw/zinc/08/83/57/1043088357.db2.gz XCJRHUUSMBGGRT-UHFFFAOYSA-N 2 2 353.445 2.529 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001278184528 1043517183 /nfs/dbraw/zinc/51/71/83/1043517183.db2.gz NTYWRMDYQPMHQR-MISYRCLQSA-N 2 2 368.525 2.805 20 30 FFEDLP C=CCCC[NH+]1CC2(C1)CCOC[C@H]2C(=O)Nc1cccc2[nH+]ccn21 ZINC001280121255 1044249555 /nfs/dbraw/zinc/24/95/55/1044249555.db2.gz QTMHAPBUYHCABW-INIZCTEOSA-N 2 2 354.454 2.578 20 30 FFEDLP C[C@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001330835036 1049354311 /nfs/dbraw/zinc/35/43/11/1049354311.db2.gz IOGFJVOVQLUPER-KBRIMQKVSA-N 2 2 369.444 2.599 20 30 FFEDLP C[C@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001330835036 1049354324 /nfs/dbraw/zinc/35/43/24/1049354324.db2.gz IOGFJVOVQLUPER-KBRIMQKVSA-N 2 2 369.444 2.599 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308165624 1052422330 /nfs/dbraw/zinc/42/23/30/1052422330.db2.gz PREFIFFIZPUSJT-IRXDYDNUSA-N 2 2 359.518 2.826 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308165624 1052422333 /nfs/dbraw/zinc/42/23/33/1052422333.db2.gz PREFIFFIZPUSJT-IRXDYDNUSA-N 2 2 359.518 2.826 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001339528081 1056549762 /nfs/dbraw/zinc/54/97/62/1056549762.db2.gz BREFYLMPKYOORS-QZTJIDSGSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001339528081 1056549773 /nfs/dbraw/zinc/54/97/73/1056549773.db2.gz BREFYLMPKYOORS-QZTJIDSGSA-N 2 2 358.534 2.686 20 30 FFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200730504 1059269864 /nfs/dbraw/zinc/26/98/64/1059269864.db2.gz UTXCOBHMYQZXBB-KZNAEPCWSA-N 2 2 362.518 2.691 20 30 FFEDLP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200730504 1059269881 /nfs/dbraw/zinc/26/98/81/1059269881.db2.gz UTXCOBHMYQZXBB-KZNAEPCWSA-N 2 2 362.518 2.691 20 30 FFEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000299581785 258007446 /nfs/dbraw/zinc/00/74/46/258007446.db2.gz RJLSHYYTVLXVOI-NRFANRHFSA-N 2 2 368.525 2.618 20 30 FFEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000299581785 258007447 /nfs/dbraw/zinc/00/74/47/258007447.db2.gz RJLSHYYTVLXVOI-NRFANRHFSA-N 2 2 368.525 2.618 20 30 FFEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000410393295 512252760 /nfs/dbraw/zinc/25/27/60/512252760.db2.gz VKJWVJMRRAWOFS-RBBKRZOGSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000410393295 512252762 /nfs/dbraw/zinc/25/27/62/512252762.db2.gz VKJWVJMRRAWOFS-RBBKRZOGSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000410393295 512252764 /nfs/dbraw/zinc/25/27/64/512252764.db2.gz VKJWVJMRRAWOFS-RBBKRZOGSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000410393295 512252766 /nfs/dbraw/zinc/25/27/66/512252766.db2.gz VKJWVJMRRAWOFS-RBBKRZOGSA-N 2 2 353.510 2.761 20 30 FFEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000092108519 508045713 /nfs/dbraw/zinc/04/57/13/508045713.db2.gz JRYJTHZWEIOCQI-UHFFFAOYSA-N 2 2 360.465 2.878 20 30 FFEDLP CCc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N(CC)CCC#N)CC1 ZINC000093299378 508136731 /nfs/dbraw/zinc/13/67/31/508136731.db2.gz AORDWQSIROQTLS-UHFFFAOYSA-N 2 2 367.497 2.998 20 30 FFEDLP COc1cccc([C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[NH+](C)C)c1 ZINC000083029956 508233751 /nfs/dbraw/zinc/23/37/51/508233751.db2.gz MTQUCUQHGQUAIS-MOPGFXCFSA-N 2 2 368.481 2.726 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152482479 508455185 /nfs/dbraw/zinc/45/51/85/508455185.db2.gz PLPMCBAMURGIAA-RBUKOAKNSA-N 2 2 356.514 2.904 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152482479 508455190 /nfs/dbraw/zinc/45/51/90/508455190.db2.gz PLPMCBAMURGIAA-RBUKOAKNSA-N 2 2 356.514 2.904 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152482479 508455192 /nfs/dbraw/zinc/45/51/92/508455192.db2.gz PLPMCBAMURGIAA-RBUKOAKNSA-N 2 2 356.514 2.904 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152482479 508455196 /nfs/dbraw/zinc/45/51/96/508455196.db2.gz PLPMCBAMURGIAA-RBUKOAKNSA-N 2 2 356.514 2.904 20 30 FFEDLP C=CCC[C@@H](CC)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119061993 508717151 /nfs/dbraw/zinc/71/71/51/508717151.db2.gz IRZQOJRHHWRQLT-QZTJIDSGSA-N 2 2 359.518 2.616 20 30 FFEDLP Cc1cc(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000126918416 509147063 /nfs/dbraw/zinc/14/70/63/509147063.db2.gz KCKZNPIYVZMIKH-IBGZPJMESA-N 2 2 365.481 2.636 20 30 FFEDLP C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000182912067 509493114 /nfs/dbraw/zinc/49/31/14/509493114.db2.gz GEEFCOVHWGMFOQ-DBVUQKKJSA-N 2 2 363.465 2.833 20 30 FFEDLP C[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000182912067 509493119 /nfs/dbraw/zinc/49/31/19/509493119.db2.gz GEEFCOVHWGMFOQ-DBVUQKKJSA-N 2 2 363.465 2.833 20 30 FFEDLP CN(C(=O)NCCCCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179581183 509524400 /nfs/dbraw/zinc/52/44/00/509524400.db2.gz CAMYYKPAPSQCCC-OALUTQOASA-N 2 2 363.550 2.659 20 30 FFEDLP CN(C(=O)NCCCCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179581183 509524407 /nfs/dbraw/zinc/52/44/07/509524407.db2.gz CAMYYKPAPSQCCC-OALUTQOASA-N 2 2 363.550 2.659 20 30 FFEDLP COc1cc(C#N)ccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188281205 510687334 /nfs/dbraw/zinc/68/73/34/510687334.db2.gz KXSJJGILVYQDFA-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C#N)ccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188281205 510687341 /nfs/dbraw/zinc/68/73/41/510687341.db2.gz KXSJJGILVYQDFA-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188281205 510687348 /nfs/dbraw/zinc/68/73/48/510687348.db2.gz KXSJJGILVYQDFA-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188281205 510687350 /nfs/dbraw/zinc/68/73/50/510687350.db2.gz KXSJJGILVYQDFA-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000291719976 511310642 /nfs/dbraw/zinc/31/06/42/511310642.db2.gz MKWNRQPLDWDLHN-UHFFFAOYSA-N 2 2 357.498 2.555 20 30 FFEDLP CC(=O)Nc1nc(CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)cs1 ZINC000328602661 511890789 /nfs/dbraw/zinc/89/07/89/511890789.db2.gz HCXFYAFPWJHYJA-UHFFFAOYSA-N 2 2 365.547 2.741 20 30 FFEDLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000328705724 511918994 /nfs/dbraw/zinc/91/89/94/511918994.db2.gz LGDYENXECPLYKB-QGZVFWFLSA-N 2 2 359.518 2.933 20 30 FFEDLP C[NH+]1CCC2(CCCN2C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000329030662 511971133 /nfs/dbraw/zinc/97/11/33/511971133.db2.gz AXHDCCJYPRMJCD-UHFFFAOYSA-N 2 2 353.470 2.847 20 30 FFEDLP N#CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000329251046 512013663 /nfs/dbraw/zinc/01/36/63/512013663.db2.gz URWIRXOILXYPQX-SFHVURJKSA-N 2 2 363.465 2.960 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC(=O)c4cccn43)CC2)CC1 ZINC000329873229 512104898 /nfs/dbraw/zinc/10/48/98/512104898.db2.gz DRMAEOOINRIKTC-SFHVURJKSA-N 2 2 358.486 2.521 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C(C)C ZINC000370219526 512827443 /nfs/dbraw/zinc/82/74/43/512827443.db2.gz MHRFFLNKMKEUEO-LJQANCHMSA-N 2 2 359.518 2.997 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C(C)C ZINC000370219526 512827448 /nfs/dbraw/zinc/82/74/48/512827448.db2.gz MHRFFLNKMKEUEO-LJQANCHMSA-N 2 2 359.518 2.997 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000398027098 512952728 /nfs/dbraw/zinc/95/27/28/512952728.db2.gz MCWKVDYFNZPPDJ-JRGCBEDISA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000398027098 512952734 /nfs/dbraw/zinc/95/27/34/512952734.db2.gz MCWKVDYFNZPPDJ-JRGCBEDISA-N 2 2 365.477 2.551 20 30 FFEDLP C=CCn1c([C@H](C)CC)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421269541 513190716 /nfs/dbraw/zinc/19/07/16/513190716.db2.gz ZDFLUHQMGBFCJN-GOSISDBHSA-N 2 2 374.577 2.974 20 30 FFEDLP C=CCn1c([C@H](C)CC)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421269541 513190723 /nfs/dbraw/zinc/19/07/23/513190723.db2.gz ZDFLUHQMGBFCJN-GOSISDBHSA-N 2 2 374.577 2.974 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470995453 514708788 /nfs/dbraw/zinc/70/87/88/514708788.db2.gz OYYBPSNVFGTCRG-SESVDKBCSA-N 2 2 355.526 2.863 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470995453 514708799 /nfs/dbraw/zinc/70/87/99/514708799.db2.gz OYYBPSNVFGTCRG-SESVDKBCSA-N 2 2 355.526 2.863 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470995453 514708808 /nfs/dbraw/zinc/70/88/08/514708808.db2.gz OYYBPSNVFGTCRG-SESVDKBCSA-N 2 2 355.526 2.863 20 30 FFEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470995453 514708817 /nfs/dbraw/zinc/70/88/17/514708817.db2.gz OYYBPSNVFGTCRG-SESVDKBCSA-N 2 2 355.526 2.863 20 30 FFEDLP N#CCCn1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(-c2ccncc2)n1 ZINC000475561888 514716299 /nfs/dbraw/zinc/71/62/99/514716299.db2.gz BDBHUXJNCPMPIU-UHFFFAOYSA-N 2 2 364.497 2.965 20 30 FFEDLP CN(C(=O)c1ccc(C#N)o1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489149929 514729383 /nfs/dbraw/zinc/72/93/83/514729383.db2.gz VZMCDVORUUJAJJ-MSOLQXFVSA-N 2 2 358.486 2.560 20 30 FFEDLP CN(C(=O)c1ccc(C#N)o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489149929 514729389 /nfs/dbraw/zinc/72/93/89/514729389.db2.gz VZMCDVORUUJAJJ-MSOLQXFVSA-N 2 2 358.486 2.560 20 30 FFEDLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000459123434 515336147 /nfs/dbraw/zinc/33/61/47/515336147.db2.gz UCBQNWPRBVOWMU-MRXNPFEDSA-N 2 2 368.485 2.609 20 30 FFEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481924229 515515144 /nfs/dbraw/zinc/51/51/44/515515144.db2.gz QMAJRXHZQIOEKQ-LEWJYISDSA-N 2 2 368.525 2.858 20 30 FFEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481924229 515515154 /nfs/dbraw/zinc/51/51/54/515515154.db2.gz QMAJRXHZQIOEKQ-LEWJYISDSA-N 2 2 368.525 2.858 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000501251976 516030631 /nfs/dbraw/zinc/03/06/31/516030631.db2.gz FXHRVAVIICWNPG-UHFFFAOYSA-N 2 2 356.514 2.557 20 30 FFEDLP N#CCCn1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(-c2ccncc2)n1 ZINC000551268406 516634161 /nfs/dbraw/zinc/63/41/61/516634161.db2.gz FAIHOYFRCBSDRL-UHFFFAOYSA-N 2 2 361.453 2.681 20 30 FFEDLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000537631716 517270764 /nfs/dbraw/zinc/27/07/64/517270764.db2.gz ULKRORYEAIOSTE-UHFFFAOYSA-N 2 2 370.522 2.882 20 30 FFEDLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccccc2)CC1 ZINC000533446850 517468730 /nfs/dbraw/zinc/46/87/30/517468730.db2.gz NMBVATYJZZEIKR-OAQYLSRUSA-N 2 2 352.457 2.776 20 30 FFEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C#N ZINC000533760362 517600650 /nfs/dbraw/zinc/60/06/50/517600650.db2.gz FKGQLZORNADUSM-OXJNMPFZSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C#N ZINC000533760362 517600659 /nfs/dbraw/zinc/60/06/59/517600659.db2.gz FKGQLZORNADUSM-OXJNMPFZSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000533760362 517600674 /nfs/dbraw/zinc/60/06/74/517600674.db2.gz FKGQLZORNADUSM-OXJNMPFZSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C#N ZINC000533760362 517600681 /nfs/dbraw/zinc/60/06/81/517600681.db2.gz FKGQLZORNADUSM-OXJNMPFZSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C#N ZINC000533760363 517600957 /nfs/dbraw/zinc/60/09/57/517600957.db2.gz FKGQLZORNADUSM-OXQOHEQNSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C#N ZINC000533760363 517600964 /nfs/dbraw/zinc/60/09/64/517600964.db2.gz FKGQLZORNADUSM-OXQOHEQNSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000533760363 517600970 /nfs/dbraw/zinc/60/09/70/517600970.db2.gz FKGQLZORNADUSM-OXQOHEQNSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C#N ZINC000533760363 517600978 /nfs/dbraw/zinc/60/09/78/517600978.db2.gz FKGQLZORNADUSM-OXQOHEQNSA-N 2 2 353.466 2.794 20 30 FFEDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000563624998 518032052 /nfs/dbraw/zinc/03/20/52/518032052.db2.gz OXWFNGFUQFECKP-UHFFFAOYSA-N 2 2 360.465 2.697 20 30 FFEDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000563624998 518032059 /nfs/dbraw/zinc/03/20/59/518032059.db2.gz OXWFNGFUQFECKP-UHFFFAOYSA-N 2 2 360.465 2.697 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000564211521 518353119 /nfs/dbraw/zinc/35/31/19/518353119.db2.gz LPZGLULCKFIIKV-OXQOHEQNSA-N 2 2 360.465 2.744 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1Cc1ccccc1 ZINC000564211521 518353122 /nfs/dbraw/zinc/35/31/22/518353122.db2.gz LPZGLULCKFIIKV-OXQOHEQNSA-N 2 2 360.465 2.744 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000567710824 518668721 /nfs/dbraw/zinc/66/87/21/518668721.db2.gz SUKIZWBSRDZSSW-WEYGHZABSA-N 2 2 367.493 2.773 20 30 FFEDLP C[C@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CCC[N@@H+]1Cc1ccccc1 ZINC000564987188 518730084 /nfs/dbraw/zinc/73/00/84/518730084.db2.gz ZQQIQPMHSDOEOO-OAQYLSRUSA-N 2 2 360.465 2.745 20 30 FFEDLP C[C@]1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CCC[N@H+]1Cc1ccccc1 ZINC000564987188 518730094 /nfs/dbraw/zinc/73/00/94/518730094.db2.gz ZQQIQPMHSDOEOO-OAQYLSRUSA-N 2 2 360.465 2.745 20 30 FFEDLP C=CCCCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000582613763 518838794 /nfs/dbraw/zinc/83/87/94/518838794.db2.gz GHCZZODXJUEOOR-UHFFFAOYSA-N 2 2 350.551 2.982 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@](O)(C(F)(F)F)C3)CC2)cc1 ZINC000589938318 519108945 /nfs/dbraw/zinc/10/89/45/519108945.db2.gz LZXXEINIXRVCKZ-ROUUACIJSA-N 2 2 367.415 2.958 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000577838283 519281509 /nfs/dbraw/zinc/28/15/09/519281509.db2.gz AXCXRQOWVQXHSM-UHFFFAOYSA-N 2 2 355.486 2.582 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000577838283 519281516 /nfs/dbraw/zinc/28/15/16/519281516.db2.gz AXCXRQOWVQXHSM-UHFFFAOYSA-N 2 2 355.486 2.582 20 30 FFEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000569323744 519491950 /nfs/dbraw/zinc/49/19/50/519491950.db2.gz NZLXQSRVMRNKTK-NHCUHLMSSA-N 2 2 366.509 2.948 20 30 FFEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000569323744 519491953 /nfs/dbraw/zinc/49/19/53/519491953.db2.gz NZLXQSRVMRNKTK-NHCUHLMSSA-N 2 2 366.509 2.948 20 30 FFEDLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H](CC#N)C3)CC2)cc1 ZINC000595611665 520592661 /nfs/dbraw/zinc/59/26/61/520592661.db2.gz MRKOFNYNNDNNTB-FQEVSTJZSA-N 2 2 368.525 2.655 20 30 FFEDLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H](CC#N)C3)CC2)cc1 ZINC000595611665 520592671 /nfs/dbraw/zinc/59/26/71/520592671.db2.gz MRKOFNYNNDNNTB-FQEVSTJZSA-N 2 2 368.525 2.655 20 30 FFEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)CC2)cc1 ZINC000595611665 520592677 /nfs/dbraw/zinc/59/26/77/520592677.db2.gz MRKOFNYNNDNNTB-FQEVSTJZSA-N 2 2 368.525 2.655 20 30 FFEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H](CC#N)C3)CC2)cc1 ZINC000595611665 520592689 /nfs/dbraw/zinc/59/26/89/520592689.db2.gz MRKOFNYNNDNNTB-FQEVSTJZSA-N 2 2 368.525 2.655 20 30 FFEDLP C[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000611090141 520978814 /nfs/dbraw/zinc/97/88/14/520978814.db2.gz BQJDORQVCFKZSZ-NRFANRHFSA-N 2 2 360.465 2.706 20 30 FFEDLP C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000611090141 520978820 /nfs/dbraw/zinc/97/88/20/520978820.db2.gz BQJDORQVCFKZSZ-NRFANRHFSA-N 2 2 360.465 2.706 20 30 FFEDLP C[NH+](Cc1ccnc(C#N)c1)[C@H]1CCC[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC000611090141 520978829 /nfs/dbraw/zinc/97/88/29/520978829.db2.gz BQJDORQVCFKZSZ-NRFANRHFSA-N 2 2 360.465 2.706 20 30 FFEDLP C[NH+](Cc1ccnc(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000611090141 520978838 /nfs/dbraw/zinc/97/88/38/520978838.db2.gz BQJDORQVCFKZSZ-NRFANRHFSA-N 2 2 360.465 2.706 20 30 FFEDLP CC(C)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000602071865 521124217 /nfs/dbraw/zinc/12/42/17/521124217.db2.gz LWEWIPKADIETBO-FQEVSTJZSA-N 2 2 367.497 2.932 20 30 FFEDLP CNC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593688331 521159179 /nfs/dbraw/zinc/15/91/79/521159179.db2.gz OPPLCUWIPICZPF-UHFFFAOYSA-N 2 2 362.477 2.672 20 30 FFEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC(=O)NCc2ccco2)[C@@H]1c1cnn(C)c1 ZINC000328642166 521614043 /nfs/dbraw/zinc/61/40/43/521614043.db2.gz QXCKIIRHWVRQNM-OXJNMPFZSA-N 2 2 373.501 2.875 20 30 FFEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC(=O)NCc2ccco2)[C@@H]1c1cnn(C)c1 ZINC000328642166 521614047 /nfs/dbraw/zinc/61/40/47/521614047.db2.gz QXCKIIRHWVRQNM-OXJNMPFZSA-N 2 2 373.501 2.875 20 30 FFEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC(=O)NCc2ccco2)[C@@H]1c1cnn(C)c1 ZINC000328642166 521614050 /nfs/dbraw/zinc/61/40/50/521614050.db2.gz QXCKIIRHWVRQNM-OXJNMPFZSA-N 2 2 373.501 2.875 20 30 FFEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(=O)NCc2ccco2)[C@@H]1c1cnn(C)c1 ZINC000328642166 521614053 /nfs/dbraw/zinc/61/40/53/521614053.db2.gz QXCKIIRHWVRQNM-OXJNMPFZSA-N 2 2 373.501 2.875 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(CC#N)c(C)[nH+]1)C2 ZINC001164817453 720174913 /nfs/dbraw/zinc/17/49/13/720174913.db2.gz PLXKAUPAYBZYKK-CTNGQTDRSA-N 2 2 354.498 2.641 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(CC#N)c(C)[nH+]1)C2 ZINC001164817453 720174919 /nfs/dbraw/zinc/17/49/19/720174919.db2.gz PLXKAUPAYBZYKK-CTNGQTDRSA-N 2 2 354.498 2.641 20 30 FFEDLP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H](C)[NH+](C)C ZINC000924957709 738465694 /nfs/dbraw/zinc/46/56/94/738465694.db2.gz NCIVFICXKKXYAT-CVEARBPZSA-N 2 2 352.523 2.846 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000730098146 734614957 /nfs/dbraw/zinc/61/49/57/734614957.db2.gz XJROMZPLNDYGON-RBUKOAKNSA-N 2 2 359.901 2.691 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000730098146 734614959 /nfs/dbraw/zinc/61/49/59/734614959.db2.gz XJROMZPLNDYGON-RBUKOAKNSA-N 2 2 359.901 2.691 20 30 FFEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000931722731 739317734 /nfs/dbraw/zinc/31/77/34/739317734.db2.gz JUFJHHSTENAURF-UONOGXRCSA-N 2 2 358.511 2.606 20 30 FFEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000931722731 739317736 /nfs/dbraw/zinc/31/77/36/739317736.db2.gz JUFJHHSTENAURF-UONOGXRCSA-N 2 2 358.511 2.606 20 30 FFEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000931722731 739317739 /nfs/dbraw/zinc/31/77/39/739317739.db2.gz JUFJHHSTENAURF-UONOGXRCSA-N 2 2 358.511 2.606 20 30 FFEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000931722731 739317742 /nfs/dbraw/zinc/31/77/42/739317742.db2.gz JUFJHHSTENAURF-UONOGXRCSA-N 2 2 358.511 2.606 20 30 FFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461029 740750957 /nfs/dbraw/zinc/75/09/57/740750957.db2.gz XMFWOMSHPYGQIX-IPELMVKDSA-N 2 2 361.917 2.521 20 30 FFEDLP C=C(Cl)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461029 740750958 /nfs/dbraw/zinc/75/09/58/740750958.db2.gz XMFWOMSHPYGQIX-IPELMVKDSA-N 2 2 361.917 2.521 20 30 FFEDLP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1[nH+]ccn1C)C2 ZINC001112486194 961680378 /nfs/dbraw/zinc/68/03/78/961680378.db2.gz DVHCFGBNRBDWPF-LQWHRVPQSA-N 2 2 358.530 2.926 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087727256 968772403 /nfs/dbraw/zinc/77/24/03/968772403.db2.gz NMRVOODVLUPBKC-HDMKZQKVSA-N 2 2 359.917 2.921 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087727256 968772404 /nfs/dbraw/zinc/77/24/04/968772404.db2.gz NMRVOODVLUPBKC-HDMKZQKVSA-N 2 2 359.917 2.921 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727256 968772410 /nfs/dbraw/zinc/77/24/10/968772410.db2.gz NMRVOODVLUPBKC-HDMKZQKVSA-N 2 2 359.917 2.921 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727256 968772412 /nfs/dbraw/zinc/77/24/12/968772412.db2.gz NMRVOODVLUPBKC-HDMKZQKVSA-N 2 2 359.917 2.921 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211645134 969915669 /nfs/dbraw/zinc/91/56/69/969915669.db2.gz RWDVIVNAHGIGBH-VQTJNVASSA-N 2 2 352.482 2.824 20 30 FFEDLP C=CCCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000660714003 972614579 /nfs/dbraw/zinc/61/45/79/972614579.db2.gz WVBBUXRJOCIMOE-GOSISDBHSA-N 2 2 362.562 2.981 20 30 FFEDLP C=CCCC1(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000660714003 972614591 /nfs/dbraw/zinc/61/45/91/972614591.db2.gz WVBBUXRJOCIMOE-GOSISDBHSA-N 2 2 362.562 2.981 20 30 FFEDLP C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665717561 974014934 /nfs/dbraw/zinc/01/49/34/974014934.db2.gz GQZUPCFVJPAXMA-WOJBJXKFSA-N 2 2 370.541 2.642 20 30 FFEDLP C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665717561 974014946 /nfs/dbraw/zinc/01/49/46/974014946.db2.gz GQZUPCFVJPAXMA-WOJBJXKFSA-N 2 2 370.541 2.642 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC001211673286 974761581 /nfs/dbraw/zinc/76/15/81/974761581.db2.gz AJVWULKCZQLHBD-WSTZPKSXSA-N 2 2 364.493 2.990 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211681998 975121055 /nfs/dbraw/zinc/12/10/55/975121055.db2.gz DIFCIBXSCFRZCG-YZGWKJHDSA-N 2 2 352.482 2.995 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087442649 977531318 /nfs/dbraw/zinc/53/13/18/977531318.db2.gz RZSUJIRHNZKQBU-UYAOXDASSA-N 2 2 352.482 2.811 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087442649 977531327 /nfs/dbraw/zinc/53/13/27/977531327.db2.gz RZSUJIRHNZKQBU-UYAOXDASSA-N 2 2 352.482 2.811 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001087464571 978266326 /nfs/dbraw/zinc/26/63/26/978266326.db2.gz QBNFFSUBUZLALH-NJDAHSKKSA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001087464571 978266333 /nfs/dbraw/zinc/26/63/33/978266333.db2.gz QBNFFSUBUZLALH-NJDAHSKKSA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001087464571 978266340 /nfs/dbraw/zinc/26/63/40/978266340.db2.gz QBNFFSUBUZLALH-NJDAHSKKSA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001087464571 978266343 /nfs/dbraw/zinc/26/63/43/978266343.db2.gz QBNFFSUBUZLALH-NJDAHSKKSA-N 2 2 371.500 2.606 20 30 FFEDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)CC1 ZINC000877746316 1014707246 /nfs/dbraw/zinc/70/72/46/1014707246.db2.gz MMVAUJANRBFRHN-UHFFFAOYSA-N 2 2 366.431 2.789 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2ccc(C)cc2)[C@@H]1C ZINC001088631491 982038010 /nfs/dbraw/zinc/03/80/10/982038010.db2.gz NLZIRQFYRYVVTL-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2ccc(C)cc2)[C@@H]1C ZINC001088631491 982038013 /nfs/dbraw/zinc/03/80/13/982038013.db2.gz NLZIRQFYRYVVTL-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2ccc(C)cc2)[C@@H]1C ZINC001088631491 982038023 /nfs/dbraw/zinc/03/80/23/982038023.db2.gz NLZIRQFYRYVVTL-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2ccc(C)cc2)[C@@H]1C ZINC001088631491 982038033 /nfs/dbraw/zinc/03/80/33/982038033.db2.gz NLZIRQFYRYVVTL-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106342714 987988898 /nfs/dbraw/zinc/98/88/98/987988898.db2.gz ARWIEEJOQLKCMX-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP CC[N@@H+]1CCCC[C@@H]1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153992338 989798487 /nfs/dbraw/zinc/79/84/87/989798487.db2.gz RRACCPVVWOJPTK-OAHLLOKOSA-N 2 2 367.497 2.521 20 30 FFEDLP CC[N@H+]1CCCC[C@@H]1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153992338 989798491 /nfs/dbraw/zinc/79/84/91/989798491.db2.gz RRACCPVVWOJPTK-OAHLLOKOSA-N 2 2 367.497 2.521 20 30 FFEDLP C=CCOc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000075777451 991359952 /nfs/dbraw/zinc/35/99/52/991359952.db2.gz QDULRETVDOZFOF-OAQYLSRUSA-N 2 2 352.478 2.760 20 30 FFEDLP C=CCOc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000075777451 991359960 /nfs/dbraw/zinc/35/99/60/991359960.db2.gz QDULRETVDOZFOF-OAQYLSRUSA-N 2 2 352.478 2.760 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC[C@H]1c1ccc(F)cc1 ZINC001079160285 991864258 /nfs/dbraw/zinc/86/42/58/991864258.db2.gz LGOKNYOVZNLBPH-UIAACRFSSA-N 2 2 370.472 2.888 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC001079160285 991864264 /nfs/dbraw/zinc/86/42/64/991864264.db2.gz LGOKNYOVZNLBPH-UIAACRFSSA-N 2 2 370.472 2.888 20 30 FFEDLP C[C@@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485727528 992004316 /nfs/dbraw/zinc/00/43/16/992004316.db2.gz XNOBVWJDLKSFGS-KFKAGJAMSA-N 2 2 368.456 2.579 20 30 FFEDLP C[C@@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485727528 992004328 /nfs/dbraw/zinc/00/43/28/992004328.db2.gz XNOBVWJDLKSFGS-KFKAGJAMSA-N 2 2 368.456 2.579 20 30 FFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107024955 993210470 /nfs/dbraw/zinc/21/04/70/993210470.db2.gz HFTXOJAYEXUGLE-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107024955 993210475 /nfs/dbraw/zinc/21/04/75/993210475.db2.gz HFTXOJAYEXUGLE-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880260721 1015792895 /nfs/dbraw/zinc/79/28/95/1015792895.db2.gz FFRKKIQUXXCBTL-SFHVURJKSA-N 2 2 363.465 2.539 20 30 FFEDLP C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880260721 1015792900 /nfs/dbraw/zinc/79/29/00/1015792900.db2.gz FFRKKIQUXXCBTL-SFHVURJKSA-N 2 2 363.465 2.539 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1ccccc1 ZINC001081135184 993692973 /nfs/dbraw/zinc/69/29/73/993692973.db2.gz KKICFBVAOXYEHJ-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001096544921 1016078249 /nfs/dbraw/zinc/07/82/49/1016078249.db2.gz PSOPZYVJLWSMMY-AABGKKOBSA-N 2 2 371.912 2.509 20 30 FFEDLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001096544921 1016078259 /nfs/dbraw/zinc/07/82/59/1016078259.db2.gz PSOPZYVJLWSMMY-AABGKKOBSA-N 2 2 371.912 2.509 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001084946220 998264615 /nfs/dbraw/zinc/26/46/15/998264615.db2.gz SSLHUNNQYGEKLN-MJGOQNOKSA-N 2 2 356.514 2.651 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001084946220 998264626 /nfs/dbraw/zinc/26/46/26/998264626.db2.gz SSLHUNNQYGEKLN-MJGOQNOKSA-N 2 2 356.514 2.651 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000731836715 998288643 /nfs/dbraw/zinc/28/86/43/998288643.db2.gz CBXONDXXZJQFOK-PMACEKPBSA-N 2 2 373.928 2.908 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000731836715 998288652 /nfs/dbraw/zinc/28/86/52/998288652.db2.gz CBXONDXXZJQFOK-PMACEKPBSA-N 2 2 373.928 2.908 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000731836715 998288656 /nfs/dbraw/zinc/28/86/56/998288656.db2.gz CBXONDXXZJQFOK-PMACEKPBSA-N 2 2 373.928 2.908 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000731836715 998288667 /nfs/dbraw/zinc/28/86/67/998288667.db2.gz CBXONDXXZJQFOK-PMACEKPBSA-N 2 2 373.928 2.908 20 30 FFEDLP C=CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000734662646 999313792 /nfs/dbraw/zinc/31/37/92/999313792.db2.gz CIUIQXQGPRFIAJ-HXUWFJFHSA-N 2 2 371.529 2.557 20 30 FFEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001171210986 1000202762 /nfs/dbraw/zinc/20/27/62/1000202762.db2.gz AVNDFWJMKCTWQO-WTOYTKOKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001171210986 1000202766 /nfs/dbraw/zinc/20/27/66/1000202766.db2.gz AVNDFWJMKCTWQO-WTOYTKOKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001171210986 1000202767 /nfs/dbraw/zinc/20/27/67/1000202767.db2.gz AVNDFWJMKCTWQO-WTOYTKOKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001171210986 1000202769 /nfs/dbraw/zinc/20/27/69/1000202769.db2.gz AVNDFWJMKCTWQO-WTOYTKOKSA-N 2 2 363.509 2.677 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1cccnc1)[NH+](C)C)C2 ZINC001112586762 1001539296 /nfs/dbraw/zinc/53/92/96/1001539296.db2.gz OPHOMKKUABAOPJ-ONTIZHBOSA-N 2 2 370.541 2.869 20 30 FFEDLP CC(C)N(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C(C)(C)C[NH3+] ZINC001183839812 1002406892 /nfs/dbraw/zinc/40/68/92/1002406892.db2.gz OJRMTOWWMJSDRL-IBGZPJMESA-N 2 2 356.514 2.887 20 30 FFEDLP CC(C)N(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)C(C)(C)C[NH3+] ZINC001183839812 1002406895 /nfs/dbraw/zinc/40/68/95/1002406895.db2.gz OJRMTOWWMJSDRL-IBGZPJMESA-N 2 2 356.514 2.887 20 30 FFEDLP C#CCCC1(CCNC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)N=N1 ZINC001198042661 1004469045 /nfs/dbraw/zinc/46/90/45/1004469045.db2.gz YVXPDHFBIYJMTD-UHFFFAOYSA-N 2 2 369.513 2.766 20 30 FFEDLP C#CCCC1(CCNC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)N=N1 ZINC001198042661 1004469048 /nfs/dbraw/zinc/46/90/48/1004469048.db2.gz YVXPDHFBIYJMTD-UHFFFAOYSA-N 2 2 369.513 2.766 20 30 FFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001110573571 1005305258 /nfs/dbraw/zinc/30/52/58/1005305258.db2.gz QZMZWPVAUHSNBS-WAPOTWQKSA-N 2 2 368.525 2.842 20 30 FFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001110573571 1005305262 /nfs/dbraw/zinc/30/52/62/1005305262.db2.gz QZMZWPVAUHSNBS-WAPOTWQKSA-N 2 2 368.525 2.842 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001489036201 1005399253 /nfs/dbraw/zinc/39/92/53/1005399253.db2.gz MRFWWUJZVJPSFJ-PBHICJAKSA-N 2 2 364.921 2.731 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)c(F)c1 ZINC001110741014 1008316277 /nfs/dbraw/zinc/31/62/77/1008316277.db2.gz NQAKNNBVIMYFPW-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)c(F)c1 ZINC001110741014 1008316280 /nfs/dbraw/zinc/31/62/80/1008316280.db2.gz NQAKNNBVIMYFPW-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110741014 1008316289 /nfs/dbraw/zinc/31/62/89/1008316289.db2.gz NQAKNNBVIMYFPW-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CCOC(=O)C1=CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000858507329 1008371899 /nfs/dbraw/zinc/37/18/99/1008371899.db2.gz YWBQLWLSXDOIBF-HXUWFJFHSA-N 2 2 353.466 2.764 20 30 FFEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(C#N)CCOCC2)CC1 ZINC001179780257 1009434065 /nfs/dbraw/zinc/43/40/65/1009434065.db2.gz HJGZGESGQJRQTI-UHFFFAOYSA-N 2 2 362.905 2.502 20 30 FFEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccc2c(c1)OCCCO2 ZINC000104176289 1009931896 /nfs/dbraw/zinc/93/18/96/1009931896.db2.gz KPAMXXACQVZXEG-UHFFFAOYSA-N 2 2 363.421 2.960 20 30 FFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172310073 1011741441 /nfs/dbraw/zinc/74/14/41/1011741441.db2.gz WLFCCXVEXYATDW-ZPMCFJSWSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172310073 1011741448 /nfs/dbraw/zinc/74/14/48/1011741448.db2.gz WLFCCXVEXYATDW-ZPMCFJSWSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172310073 1011741459 /nfs/dbraw/zinc/74/14/59/1011741459.db2.gz WLFCCXVEXYATDW-ZPMCFJSWSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172310073 1011741471 /nfs/dbraw/zinc/74/14/71/1011741471.db2.gz WLFCCXVEXYATDW-ZPMCFJSWSA-N 2 2 363.509 2.677 20 30 FFEDLP CCCCCCCC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275113500 1011955095 /nfs/dbraw/zinc/95/50/95/1011955095.db2.gz CZXLVMIHTXORQN-HXUWFJFHSA-N 2 2 362.518 2.547 20 30 FFEDLP CCCCCCCC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275113500 1011955104 /nfs/dbraw/zinc/95/51/04/1011955104.db2.gz CZXLVMIHTXORQN-HXUWFJFHSA-N 2 2 362.518 2.547 20 30 FFEDLP CC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(C#N)c1O ZINC000924689361 1017419398 /nfs/dbraw/zinc/41/93/98/1017419398.db2.gz KFONUUSJKMBKQN-IBGZPJMESA-N 2 2 365.481 2.652 20 30 FFEDLP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000924786113 1017480750 /nfs/dbraw/zinc/48/07/50/1017480750.db2.gz APTZDZHTNFXEJB-IAGOWNOFSA-N 2 2 364.534 2.990 20 30 FFEDLP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000924786113 1017480760 /nfs/dbraw/zinc/48/07/60/1017480760.db2.gz APTZDZHTNFXEJB-IAGOWNOFSA-N 2 2 364.534 2.990 20 30 FFEDLP C#CC[N@H+](C)CCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000930555393 1020079817 /nfs/dbraw/zinc/07/98/17/1020079817.db2.gz MYHXFEOALWIZBT-UHFFFAOYSA-N 2 2 363.465 2.678 20 30 FFEDLP C#CC[N@@H+](C)CCCNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000930555393 1020079830 /nfs/dbraw/zinc/07/98/30/1020079830.db2.gz MYHXFEOALWIZBT-UHFFFAOYSA-N 2 2 363.465 2.678 20 30 FFEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001048525750 1020275576 /nfs/dbraw/zinc/27/55/76/1020275576.db2.gz KQIXGDQLOAKJIR-OUUBHVDSSA-N 2 2 368.525 2.699 20 30 FFEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001048525750 1020275594 /nfs/dbraw/zinc/27/55/94/1020275594.db2.gz KQIXGDQLOAKJIR-OUUBHVDSSA-N 2 2 368.525 2.699 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC001118992050 1022511553 /nfs/dbraw/zinc/51/15/53/1022511553.db2.gz XBZYTYJFPVYKBL-MRXNPFEDSA-N 2 2 350.466 2.866 20 30 FFEDLP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000948961526 1023424341 /nfs/dbraw/zinc/42/43/41/1023424341.db2.gz LBMLVIQVCDCPTF-SBHAEUEKSA-N 2 2 364.493 2.815 20 30 FFEDLP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000948961526 1023424347 /nfs/dbraw/zinc/42/43/47/1023424347.db2.gz LBMLVIQVCDCPTF-SBHAEUEKSA-N 2 2 364.493 2.815 20 30 FFEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001111308895 1023763389 /nfs/dbraw/zinc/76/33/89/1023763389.db2.gz BXRNPCIZJIHKOO-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001111308895 1023763393 /nfs/dbraw/zinc/76/33/93/1023763393.db2.gz BXRNPCIZJIHKOO-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001111308895 1023763398 /nfs/dbraw/zinc/76/33/98/1023763398.db2.gz BXRNPCIZJIHKOO-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001111308895 1023763401 /nfs/dbraw/zinc/76/34/01/1023763401.db2.gz BXRNPCIZJIHKOO-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001102508694 1026163449 /nfs/dbraw/zinc/16/34/49/1026163449.db2.gz DKZSSXRPEMEBFL-KZNAEPCWSA-N 2 2 367.497 2.920 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001102508694 1026163454 /nfs/dbraw/zinc/16/34/54/1026163454.db2.gz DKZSSXRPEMEBFL-KZNAEPCWSA-N 2 2 367.497 2.920 20 30 FFEDLP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160948742 1027937990 /nfs/dbraw/zinc/93/79/90/1027937990.db2.gz OUOHQGXELPIPFP-ODOSVJCGSA-N 2 2 374.488 2.600 20 30 FFEDLP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC1 ZINC000957608070 1028397763 /nfs/dbraw/zinc/39/77/63/1028397763.db2.gz CJJCMEWBLATTQV-QZTJIDSGSA-N 2 2 356.514 2.804 20 30 FFEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC(COCC[NH+]4CCCC4)CC3)c12 ZINC001163884019 1029103302 /nfs/dbraw/zinc/10/33/02/1029103302.db2.gz ZATCNUABYYOAEY-UHFFFAOYSA-N 2 2 353.470 2.763 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001111792845 1029461637 /nfs/dbraw/zinc/46/16/37/1029461637.db2.gz QAAKLIXSKJAWMU-WWMYMODYSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001111792845 1029461642 /nfs/dbraw/zinc/46/16/42/1029461642.db2.gz QAAKLIXSKJAWMU-WWMYMODYSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001111792845 1029461649 /nfs/dbraw/zinc/46/16/49/1029461649.db2.gz QAAKLIXSKJAWMU-WWMYMODYSA-N 2 2 356.514 2.760 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001111792845 1029461653 /nfs/dbraw/zinc/46/16/53/1029461653.db2.gz QAAKLIXSKJAWMU-WWMYMODYSA-N 2 2 356.514 2.760 20 30 FFEDLP N#Cc1c(Cl)c2cc(F)c(F)cc2nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157101209 1029465658 /nfs/dbraw/zinc/46/56/58/1029465658.db2.gz AMEWTBHANJYFAD-UHFFFAOYSA-N 2 2 352.776 2.713 20 30 FFEDLP CC1(C)CCCc2cc(C#N)c(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)nc21 ZINC001158266663 1029778717 /nfs/dbraw/zinc/77/87/17/1029778717.db2.gz JTABLVFEYMYIBI-QGZVFWFLSA-N 2 2 353.514 2.569 20 30 FFEDLP CC1(C)CCCc2cc(C#N)c(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)nc21 ZINC001158266663 1029778721 /nfs/dbraw/zinc/77/87/21/1029778721.db2.gz JTABLVFEYMYIBI-QGZVFWFLSA-N 2 2 353.514 2.569 20 30 FFEDLP CCCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001149861694 1031609970 /nfs/dbraw/zinc/60/99/70/1031609970.db2.gz PCFZLLWTUTVDCR-RCCFBDPRSA-N 2 2 362.518 2.691 20 30 FFEDLP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001149861694 1031609979 /nfs/dbraw/zinc/60/99/79/1031609979.db2.gz PCFZLLWTUTVDCR-RCCFBDPRSA-N 2 2 362.518 2.691 20 30 FFEDLP CCCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001149861694 1031609991 /nfs/dbraw/zinc/60/99/91/1031609991.db2.gz PCFZLLWTUTVDCR-RCCFBDPRSA-N 2 2 362.518 2.691 20 30 FFEDLP CCCCCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001149861694 1031610002 /nfs/dbraw/zinc/61/00/02/1031610002.db2.gz PCFZLLWTUTVDCR-RCCFBDPRSA-N 2 2 362.518 2.691 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205462533 1031765574 /nfs/dbraw/zinc/76/55/74/1031765574.db2.gz OYVSRPVNCWXJCJ-VQTJNVASSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1F ZINC001205632713 1031889922 /nfs/dbraw/zinc/88/99/22/1031889922.db2.gz GLJZCMFGRGIRDM-PKOBYXMFSA-N 2 2 370.472 2.652 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205692277 1031941636 /nfs/dbraw/zinc/94/16/36/1031941636.db2.gz QZWIFMRDHMGYFX-PKOBYXMFSA-N 2 2 356.445 2.573 20 30 FFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001221652184 1034951662 /nfs/dbraw/zinc/95/16/62/1034951662.db2.gz GGYDFZICFPYJDM-NLWGTHIKSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001221652184 1034951670 /nfs/dbraw/zinc/95/16/70/1034951670.db2.gz GGYDFZICFPYJDM-NLWGTHIKSA-N 2 2 358.530 2.949 20 30 FFEDLP N#Cc1cccc2c(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c[nH]c21 ZINC001139702397 1035201549 /nfs/dbraw/zinc/20/15/49/1035201549.db2.gz CTVBGKLBKOOUAJ-WOJBJXKFSA-N 2 2 357.461 2.998 20 30 FFEDLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001140027892 1035311358 /nfs/dbraw/zinc/31/13/58/1035311358.db2.gz FXSHXNNTLWTLGK-UHFFFAOYSA-N 2 2 358.449 2.770 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001140113392 1035345227 /nfs/dbraw/zinc/34/52/27/1035345227.db2.gz YZDSVTKXFYRADL-OALUTQOASA-N 2 2 357.461 2.998 20 30 FFEDLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)C1 ZINC001233083322 1036334699 /nfs/dbraw/zinc/33/46/99/1036334699.db2.gz GFSDRQYRVZOJPO-IBGZPJMESA-N 2 2 355.482 2.716 20 30 FFEDLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)C1 ZINC001233083322 1036334715 /nfs/dbraw/zinc/33/47/15/1036334715.db2.gz GFSDRQYRVZOJPO-IBGZPJMESA-N 2 2 355.482 2.716 20 30 FFEDLP Cc1cc(N2CC[NH+](Cc3ccc(N(C)C)c(C#N)c3F)CC2)cc[nH+]1 ZINC001233102622 1036350300 /nfs/dbraw/zinc/35/03/00/1036350300.db2.gz GSFQYKWGDWVJGX-UHFFFAOYSA-N 2 2 353.445 2.789 20 30 FFEDLP N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccccc3-n3cc[nH+]c3)no2)cc1 ZINC001248155094 1040150213 /nfs/dbraw/zinc/15/02/13/1040150213.db2.gz GZEAVAVAFPKYPN-QGZVFWFLSA-N 2 2 370.416 2.906 20 30 FFEDLP Cn1cccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278516778 1040793534 /nfs/dbraw/zinc/79/35/34/1040793534.db2.gz OARNQAKHASRDSU-NRFANRHFSA-N 2 2 351.498 2.723 20 30 FFEDLP Cn1cccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278516778 1040793544 /nfs/dbraw/zinc/79/35/44/1040793544.db2.gz OARNQAKHASRDSU-NRFANRHFSA-N 2 2 351.498 2.723 20 30 FFEDLP Cn1cccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278516778 1040793557 /nfs/dbraw/zinc/79/35/57/1040793557.db2.gz OARNQAKHASRDSU-NRFANRHFSA-N 2 2 351.498 2.723 20 30 FFEDLP Cn1cccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278516778 1040793572 /nfs/dbraw/zinc/79/35/72/1040793572.db2.gz OARNQAKHASRDSU-NRFANRHFSA-N 2 2 351.498 2.723 20 30 FFEDLP C=CCCC[N@@H+]1CCc2[nH]nc(C(=O)Nc3cccc4[nH+]ccn43)c2C1 ZINC001280121727 1044254765 /nfs/dbraw/zinc/25/47/65/1044254765.db2.gz XHWQMJWCSYHSCF-UHFFFAOYSA-N 2 2 350.426 2.634 20 30 FFEDLP C=CCCC[N@H+]1CCc2[nH]nc(C(=O)Nc3cccc4[nH+]ccn43)c2C1 ZINC001280121727 1044254773 /nfs/dbraw/zinc/25/47/73/1044254773.db2.gz XHWQMJWCSYHSCF-UHFFFAOYSA-N 2 2 350.426 2.634 20 30 FFEDLP N#CCCC[NH+]1CCC2(C[NH+](Cc3cc(F)cc4c3OCOC4)C2)CC1 ZINC001280181803 1044365106 /nfs/dbraw/zinc/36/51/06/1044365106.db2.gz DIZIRQMOKSAYSQ-UHFFFAOYSA-N 2 2 359.445 2.894 20 30 FFEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001317556528 1045110843 /nfs/dbraw/zinc/11/08/43/1045110843.db2.gz HFNJWHFMZZJYJH-MOPGFXCFSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+](CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001317556528 1045110848 /nfs/dbraw/zinc/11/08/48/1045110848.db2.gz HFNJWHFMZZJYJH-MOPGFXCFSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001317556528 1045110852 /nfs/dbraw/zinc/11/08/52/1045110852.db2.gz HFNJWHFMZZJYJH-MOPGFXCFSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+](CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001317556528 1045110855 /nfs/dbraw/zinc/11/08/55/1045110855.db2.gz HFNJWHFMZZJYJH-MOPGFXCFSA-N 2 2 361.917 2.665 20 30 FFEDLP C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC001356095279 1055285417 /nfs/dbraw/zinc/28/54/17/1055285417.db2.gz TVTLMIWSFANHBX-GOSISDBHSA-N 2 2 371.533 2.828 20 30 FFEDLP C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[N@H+](CC)CC1 ZINC001356095279 1055285429 /nfs/dbraw/zinc/28/54/29/1055285429.db2.gz TVTLMIWSFANHBX-GOSISDBHSA-N 2 2 371.533 2.828 20 30 FFEDLP C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001339133932 1056125203 /nfs/dbraw/zinc/12/52/03/1056125203.db2.gz FLIUOQKPGCSRKM-GOSISDBHSA-N 2 2 371.533 2.827 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CC[N@@H+]2C(C)(C)C)CC1=O ZINC000849174426 1056789924 /nfs/dbraw/zinc/78/99/24/1056789924.db2.gz QZPCTQJBFTUVMV-CQSZACIVSA-N 2 2 367.497 2.519 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CC[N@H+]2C(C)(C)C)CC1=O ZINC000849174426 1056789934 /nfs/dbraw/zinc/78/99/34/1056789934.db2.gz QZPCTQJBFTUVMV-CQSZACIVSA-N 2 2 367.497 2.519 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001515998849 1059924715 /nfs/dbraw/zinc/92/47/15/1059924715.db2.gz SZMBGPSXJYIXLS-IBGZPJMESA-N 2 2 372.561 2.905 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001570521031 1077212406 /nfs/dbraw/zinc/21/24/06/1077212406.db2.gz ZWABIWASTFFBDO-SOAMZJECSA-N 2 2 350.466 2.851 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001570521031 1077212408 /nfs/dbraw/zinc/21/24/08/1077212408.db2.gz ZWABIWASTFFBDO-SOAMZJECSA-N 2 2 350.466 2.851 20 30 FFEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1OC ZINC000414890347 514341815 /nfs/dbraw/zinc/34/18/15/514341815.db2.gz HFZPIOYJSLGCTM-AWEZNQCLSA-N 2 2 355.276 2.849 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)o1 ZINC000092668798 508092456 /nfs/dbraw/zinc/09/24/56/508092456.db2.gz ATAJGRBJURHMST-SFHVURJKSA-N 2 2 365.481 2.580 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)o1 ZINC000092668798 508092458 /nfs/dbraw/zinc/09/24/58/508092458.db2.gz ATAJGRBJURHMST-SFHVURJKSA-N 2 2 365.481 2.580 20 30 FFEDLP Cn1cc[nH+]c1-c1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000086292219 508323490 /nfs/dbraw/zinc/32/34/90/508323490.db2.gz WMIXRLKVSZSDIP-UHFFFAOYSA-N 2 2 354.458 2.786 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000106266668 508398791 /nfs/dbraw/zinc/39/87/91/508398791.db2.gz BLNPSCQFGOSPIX-UHFFFAOYSA-N 2 2 371.460 2.851 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000152366734 508432033 /nfs/dbraw/zinc/43/20/33/508432033.db2.gz VFWLKZYJCSSQQV-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000152366734 508432038 /nfs/dbraw/zinc/43/20/38/508432038.db2.gz VFWLKZYJCSSQQV-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000152366734 508432042 /nfs/dbraw/zinc/43/20/42/508432042.db2.gz VFWLKZYJCSSQQV-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000152366734 508432047 /nfs/dbraw/zinc/43/20/47/508432047.db2.gz VFWLKZYJCSSQQV-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000116393607 508506038 /nfs/dbraw/zinc/50/60/38/508506038.db2.gz MHXOSFKZDOZEMN-IIBYNOLFSA-N 2 2 362.477 2.900 20 30 FFEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117669209 508611030 /nfs/dbraw/zinc/61/10/30/508611030.db2.gz LPUSUVWQJCUALK-UHFFFAOYSA-N 2 2 373.460 2.948 20 30 FFEDLP NC(=[NH+]OCCc1ccccc1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000123240087 508657200 /nfs/dbraw/zinc/65/72/00/508657200.db2.gz WBIAEEPMEKEICZ-UHFFFAOYSA-N 2 2 353.466 2.523 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118843557 508682652 /nfs/dbraw/zinc/68/26/52/508682652.db2.gz LSBAXYIJUITLNV-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000118843557 508682657 /nfs/dbraw/zinc/68/26/57/508682657.db2.gz LSBAXYIJUITLNV-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118843557 508682661 /nfs/dbraw/zinc/68/26/61/508682661.db2.gz LSBAXYIJUITLNV-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000118843557 508682663 /nfs/dbraw/zinc/68/26/63/508682663.db2.gz LSBAXYIJUITLNV-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP C=C(C)COc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1OC ZINC000119543246 508815725 /nfs/dbraw/zinc/81/57/25/508815725.db2.gz HZHAICGVMSLDKH-UHFFFAOYSA-N 2 2 373.541 2.864 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC)c1 ZINC000266931783 509264083 /nfs/dbraw/zinc/26/40/83/509264083.db2.gz OVAGMQMZBJOTIU-MSOLQXFVSA-N 2 2 371.481 2.766 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC)c1 ZINC000266931783 509264092 /nfs/dbraw/zinc/26/40/92/509264092.db2.gz OVAGMQMZBJOTIU-MSOLQXFVSA-N 2 2 371.481 2.766 20 30 FFEDLP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000188905186 509318358 /nfs/dbraw/zinc/31/83/58/509318358.db2.gz IOJQXAPDGREXQM-IFMALSPDSA-N 2 2 371.525 2.678 20 30 FFEDLP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000182811131 509437600 /nfs/dbraw/zinc/43/76/00/509437600.db2.gz AJUJZSJAIWRJSZ-TZIWHRDSSA-N 2 2 366.509 2.861 20 30 FFEDLP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000182811131 509437604 /nfs/dbraw/zinc/43/76/04/509437604.db2.gz AJUJZSJAIWRJSZ-TZIWHRDSSA-N 2 2 366.509 2.861 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173619934 509679424 /nfs/dbraw/zinc/67/94/24/509679424.db2.gz RYEJWLWPPQQZQV-QGZVFWFLSA-N 2 2 372.513 2.793 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000245441287 509935762 /nfs/dbraw/zinc/93/57/62/509935762.db2.gz HFNSTHLZMMRSLP-PKOBYXMFSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000245441287 509935763 /nfs/dbraw/zinc/93/57/63/509935763.db2.gz HFNSTHLZMMRSLP-PKOBYXMFSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000245441287 509935767 /nfs/dbraw/zinc/93/57/67/509935767.db2.gz HFNSTHLZMMRSLP-PKOBYXMFSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000245441287 509935774 /nfs/dbraw/zinc/93/57/74/509935774.db2.gz HFNSTHLZMMRSLP-PKOBYXMFSA-N 2 2 356.514 2.965 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268872327 510112977 /nfs/dbraw/zinc/11/29/77/510112977.db2.gz KSMNJFGNLNONJD-ZDUSSCGKSA-N 2 2 358.454 2.984 20 30 FFEDLP CC(C)(C)N1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000181999033 510699831 /nfs/dbraw/zinc/69/98/31/510699831.db2.gz JFKDNBPNIFTNFF-LJQANCHMSA-N 2 2 354.498 2.512 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246993934 510787726 /nfs/dbraw/zinc/78/77/26/510787726.db2.gz WOFZSZLUJFDYFA-MDYRTPRTSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246993934 510787739 /nfs/dbraw/zinc/78/77/39/510787739.db2.gz WOFZSZLUJFDYFA-MDYRTPRTSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246993934 510787750 /nfs/dbraw/zinc/78/77/50/510787750.db2.gz WOFZSZLUJFDYFA-MDYRTPRTSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246993934 510787758 /nfs/dbraw/zinc/78/77/58/510787758.db2.gz WOFZSZLUJFDYFA-MDYRTPRTSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247026195 510805656 /nfs/dbraw/zinc/80/56/56/510805656.db2.gz QXYABVQQZGPDNZ-KBPBESRZSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247026195 510805663 /nfs/dbraw/zinc/80/56/63/510805663.db2.gz QXYABVQQZGPDNZ-KBPBESRZSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247026195 510805671 /nfs/dbraw/zinc/80/56/71/510805671.db2.gz QXYABVQQZGPDNZ-KBPBESRZSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247026195 510805679 /nfs/dbraw/zinc/80/56/79/510805679.db2.gz QXYABVQQZGPDNZ-KBPBESRZSA-N 2 2 360.527 2.709 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277371184 510961322 /nfs/dbraw/zinc/96/13/22/510961322.db2.gz XPWYQSYRHPSEOD-ZWKOTPCHSA-N 2 2 372.513 2.746 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277371184 510961326 /nfs/dbraw/zinc/96/13/26/510961326.db2.gz XPWYQSYRHPSEOD-ZWKOTPCHSA-N 2 2 372.513 2.746 20 30 FFEDLP N#CCCn1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(-c2ccncc2)n1 ZINC000279398693 511070251 /nfs/dbraw/zinc/07/02/51/511070251.db2.gz MHXJYFSULKURLZ-UHFFFAOYSA-N 2 2 361.453 2.961 20 30 FFEDLP N#CC1(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCCC1 ZINC000333075766 511180436 /nfs/dbraw/zinc/18/04/36/511180436.db2.gz VYMZZDHFSKKAPA-UHFFFAOYSA-N 2 2 369.513 2.741 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1 ZINC000271892520 511361069 /nfs/dbraw/zinc/36/10/69/511361069.db2.gz SHWCAWLOEBWGAK-QGZVFWFLSA-N 2 2 362.477 2.797 20 30 FFEDLP C#CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824511 511790533 /nfs/dbraw/zinc/79/05/33/511790533.db2.gz QQEGOJXZNGACGH-RTWAWAEBSA-N 2 2 368.525 2.561 20 30 FFEDLP C#CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824511 511790537 /nfs/dbraw/zinc/79/05/37/511790537.db2.gz QQEGOJXZNGACGH-RTWAWAEBSA-N 2 2 368.525 2.561 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3scnc3C3CC3)CC2)CC1 ZINC000328620517 511895130 /nfs/dbraw/zinc/89/51/30/511895130.db2.gz WXYRXURSYSTAMM-UHFFFAOYSA-N 2 2 363.531 2.905 20 30 FFEDLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329455788 512050820 /nfs/dbraw/zinc/05/08/20/512050820.db2.gz PYUXKGWUFZOFTK-BRWVUGGUSA-N 2 2 373.545 2.968 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCC(=O)c4cccn43)CC2)CC1 ZINC000329873227 512104875 /nfs/dbraw/zinc/10/48/75/512104875.db2.gz DRMAEOOINRIKTC-GOSISDBHSA-N 2 2 358.486 2.521 20 30 FFEDLP N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411305565 512573308 /nfs/dbraw/zinc/57/33/08/512573308.db2.gz KGCQPFKRCDUQFO-UHFFFAOYSA-N 2 2 370.541 2.720 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000398013068 512952266 /nfs/dbraw/zinc/95/22/66/512952266.db2.gz DVFNTGYIKXEWJE-DUXKGJEZSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000398013068 512952268 /nfs/dbraw/zinc/95/22/68/512952268.db2.gz DVFNTGYIKXEWJE-DUXKGJEZSA-N 2 2 365.477 2.551 20 30 FFEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(F)c(C#N)c3Cl)[nH+]c2)C1 ZINC000428871593 513213302 /nfs/dbraw/zinc/21/33/02/513213302.db2.gz JLGQBBQEAWKLPX-HNNXBMFYSA-N 2 2 373.863 2.920 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC000421367748 513237533 /nfs/dbraw/zinc/23/75/33/513237533.db2.gz UEGQWPQRBTZEGX-TZIWHRDSSA-N 2 2 353.441 2.670 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1F ZINC000421367748 513237537 /nfs/dbraw/zinc/23/75/37/513237537.db2.gz UEGQWPQRBTZEGX-TZIWHRDSSA-N 2 2 353.441 2.670 20 30 FFEDLP C=CCn1c(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C ZINC000508881323 514934428 /nfs/dbraw/zinc/93/44/28/514934428.db2.gz PKPIFGPDFPUTBC-UHFFFAOYSA-N 2 2 374.577 2.756 20 30 FFEDLP Cc1cc(C)c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000459109300 515325169 /nfs/dbraw/zinc/32/51/69/515325169.db2.gz DWWDEFAQHWAOEQ-UHFFFAOYSA-N 2 2 365.481 2.844 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512254564 516212182 /nfs/dbraw/zinc/21/21/82/516212182.db2.gz XAZMEVVEHINZDS-UGKGYDQZSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512254564 516212192 /nfs/dbraw/zinc/21/21/92/516212192.db2.gz XAZMEVVEHINZDS-UGKGYDQZSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512254564 516212197 /nfs/dbraw/zinc/21/21/97/516212197.db2.gz XAZMEVVEHINZDS-UGKGYDQZSA-N 2 2 368.525 2.593 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512254564 516212203 /nfs/dbraw/zinc/21/22/03/516212203.db2.gz XAZMEVVEHINZDS-UGKGYDQZSA-N 2 2 368.525 2.593 20 30 FFEDLP CN(C(=O)NCC(C)(C)C#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000512888061 516401082 /nfs/dbraw/zinc/40/10/82/516401082.db2.gz FDRGNAZGCHBHMO-ROUUACIJSA-N 2 2 363.550 2.515 20 30 FFEDLP CN(C(=O)NCC(C)(C)C#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000512888061 516401090 /nfs/dbraw/zinc/40/10/90/516401090.db2.gz FDRGNAZGCHBHMO-ROUUACIJSA-N 2 2 363.550 2.515 20 30 FFEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000558013652 516549358 /nfs/dbraw/zinc/54/93/58/516549358.db2.gz UVLMDVJWHSQYFV-HRAATJIYSA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000558013652 516549368 /nfs/dbraw/zinc/54/93/68/516549368.db2.gz UVLMDVJWHSQYFV-HRAATJIYSA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000527377196 517666668 /nfs/dbraw/zinc/66/66/68/517666668.db2.gz KLYVJRZXHGPGNR-IEBWSBKVSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000527377196 517666680 /nfs/dbraw/zinc/66/66/80/517666680.db2.gz KLYVJRZXHGPGNR-IEBWSBKVSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1Cc1ccccc1 ZINC000527377196 517666690 /nfs/dbraw/zinc/66/66/90/517666690.db2.gz KLYVJRZXHGPGNR-IEBWSBKVSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1Cc1ccccc1 ZINC000527377196 517666700 /nfs/dbraw/zinc/66/67/00/517666700.db2.gz KLYVJRZXHGPGNR-IEBWSBKVSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000569513919 519587681 /nfs/dbraw/zinc/58/76/81/519587681.db2.gz QORLNWCWMVDFHT-GASCZTMLSA-N 2 2 356.495 2.914 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000569513919 519587688 /nfs/dbraw/zinc/58/76/88/519587688.db2.gz QORLNWCWMVDFHT-GASCZTMLSA-N 2 2 356.495 2.914 20 30 FFEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594512963 520010500 /nfs/dbraw/zinc/01/05/00/520010500.db2.gz ZAGUIXULTROHRQ-QRVBRYPASA-N 2 2 370.541 2.610 20 30 FFEDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C#N)c(OC)c2)cc1F ZINC000594739858 520125036 /nfs/dbraw/zinc/12/50/36/520125036.db2.gz ZTCGDLUHQTWOHF-HKUYNNGSSA-N 2 2 369.440 2.950 20 30 FFEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000594996208 520249826 /nfs/dbraw/zinc/24/98/26/520249826.db2.gz VNVVMAPQQMCFND-HXUWFJFHSA-N 2 2 352.457 2.603 20 30 FFEDLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000594996208 520249837 /nfs/dbraw/zinc/24/98/37/520249837.db2.gz VNVVMAPQQMCFND-HXUWFJFHSA-N 2 2 352.457 2.603 20 30 FFEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595098869 520292721 /nfs/dbraw/zinc/29/27/21/520292721.db2.gz KAGXBWOAVYQXHY-JTHBVZDNSA-N 2 2 360.505 2.951 20 30 FFEDLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595098869 520292728 /nfs/dbraw/zinc/29/27/28/520292728.db2.gz KAGXBWOAVYQXHY-JTHBVZDNSA-N 2 2 360.505 2.951 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000609676627 520405425 /nfs/dbraw/zinc/40/54/25/520405425.db2.gz XKYUHNHLUVRWCJ-CTNGQTDRSA-N 2 2 362.477 2.586 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000609676627 520405430 /nfs/dbraw/zinc/40/54/30/520405430.db2.gz XKYUHNHLUVRWCJ-CTNGQTDRSA-N 2 2 362.477 2.586 20 30 FFEDLP C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207946 520490961 /nfs/dbraw/zinc/49/09/61/520490961.db2.gz BFCGKMUAUWDAQX-LJQANCHMSA-N 2 2 362.562 2.933 20 30 FFEDLP C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207946 520490966 /nfs/dbraw/zinc/49/09/66/520490966.db2.gz BFCGKMUAUWDAQX-LJQANCHMSA-N 2 2 362.562 2.933 20 30 FFEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595727385 520675935 /nfs/dbraw/zinc/67/59/35/520675935.db2.gz XZZNUWGUMUJJNQ-IBGZPJMESA-N 2 2 364.497 2.555 20 30 FFEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595727385 520675938 /nfs/dbraw/zinc/67/59/38/520675938.db2.gz XZZNUWGUMUJJNQ-IBGZPJMESA-N 2 2 364.497 2.555 20 30 FFEDLP N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000610604059 520762805 /nfs/dbraw/zinc/76/28/05/520762805.db2.gz NSAQACJYROZBOT-NHCUHLMSSA-N 2 2 366.509 2.501 20 30 FFEDLP N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000610604059 520762815 /nfs/dbraw/zinc/76/28/15/520762815.db2.gz NSAQACJYROZBOT-NHCUHLMSSA-N 2 2 366.509 2.501 20 30 FFEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000611387973 521132933 /nfs/dbraw/zinc/13/29/33/521132933.db2.gz IZZDMUUXLIZONU-SFHVURJKSA-N 2 2 362.477 2.553 20 30 FFEDLP N#Cc1ccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c(F)c1 ZINC000596995049 521431054 /nfs/dbraw/zinc/43/10/54/521431054.db2.gz FWJKMEQQFRHWDM-UHFFFAOYSA-N 2 2 362.412 2.600 20 30 FFEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1OC ZINC000629405321 522193523 /nfs/dbraw/zinc/19/35/23/522193523.db2.gz IHUDOHVUCWEBSO-SMDDNHRTSA-N 2 2 355.276 2.863 20 30 FFEDLP C=C(C)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc23)CC1 ZINC000819722711 599540814 /nfs/dbraw/zinc/54/08/14/599540814.db2.gz PBHDCFFJDGYOQE-UHFFFAOYSA-N 2 2 363.469 2.598 20 30 FFEDLP CC(C)(O)C[NH+]1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000638897722 730050724 /nfs/dbraw/zinc/05/07/24/730050724.db2.gz KOOFVQFFWMBPKP-UHFFFAOYSA-N 2 2 354.416 2.882 20 30 FFEDLP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H](C)[NH+](C)C ZINC000924957711 738465689 /nfs/dbraw/zinc/46/56/89/738465689.db2.gz NCIVFICXKKXYAT-HOTGVXAUSA-N 2 2 352.523 2.846 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876725257 732272764 /nfs/dbraw/zinc/27/27/64/732272764.db2.gz HKGWMJKYEMIOAT-LZWOXQAQSA-N 2 2 351.878 2.704 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876725257 732272766 /nfs/dbraw/zinc/27/27/66/732272766.db2.gz HKGWMJKYEMIOAT-LZWOXQAQSA-N 2 2 351.878 2.704 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000876725255 732272897 /nfs/dbraw/zinc/27/28/97/732272897.db2.gz HKGWMJKYEMIOAT-FMKPAKJESA-N 2 2 351.878 2.704 20 30 FFEDLP C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000665394909 732703378 /nfs/dbraw/zinc/70/33/78/732703378.db2.gz XGPDYPCAYOXTAC-PKOBYXMFSA-N 2 2 350.551 2.789 20 30 FFEDLP C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665394909 732703381 /nfs/dbraw/zinc/70/33/81/732703381.db2.gz XGPDYPCAYOXTAC-PKOBYXMFSA-N 2 2 350.551 2.789 20 30 FFEDLP C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)CC1 ZINC001000259049 742082840 /nfs/dbraw/zinc/08/28/40/742082840.db2.gz KDDRYAUBMGYICR-HZPDHXFCSA-N 2 2 362.905 2.637 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001104867752 971043543 /nfs/dbraw/zinc/04/35/43/971043543.db2.gz ATLKZAWFCOKEER-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCC[NH+]3CCCCC3)c2)n1 ZINC000190091871 971597049 /nfs/dbraw/zinc/59/70/49/971597049.db2.gz WIFJXFDFWRPQFF-UHFFFAOYSA-N 2 2 355.486 2.671 20 30 FFEDLP C[C@@H](C[NH+]1CCCCC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000120073902 958820537 /nfs/dbraw/zinc/82/05/37/958820537.db2.gz ALPTYQLRVWMNGF-HNNXBMFYSA-N 2 2 367.497 2.521 20 30 FFEDLP C=CC[C@@H]1N(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1(C)C ZINC000683559609 961039976 /nfs/dbraw/zinc/03/99/76/961039976.db2.gz PHXWWJJMFRSSBI-HKUYNNGSSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[C@@H]1N(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1(C)C ZINC000683559609 961039997 /nfs/dbraw/zinc/03/99/97/961039997.db2.gz PHXWWJJMFRSSBI-HKUYNNGSSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001087465751 964382503 /nfs/dbraw/zinc/38/25/03/964382503.db2.gz HEGAKCAJJKEUIO-VAMGGRTRSA-N 2 2 359.489 2.770 20 30 FFEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001087465751 964382511 /nfs/dbraw/zinc/38/25/11/964382511.db2.gz HEGAKCAJJKEUIO-VAMGGRTRSA-N 2 2 359.489 2.770 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087465751 964382529 /nfs/dbraw/zinc/38/25/29/964382529.db2.gz HEGAKCAJJKEUIO-VAMGGRTRSA-N 2 2 359.489 2.770 20 30 FFEDLP CC(C)C[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])[NH+](C)C ZINC000121463820 964414438 /nfs/dbraw/zinc/41/44/38/964414438.db2.gz PPKIDWVTSBOMJD-OAHLLOKOSA-N 2 2 369.513 2.622 20 30 FFEDLP CC[NH+]=C(NCc1ccc2c(c1)COC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261969241 965103350 /nfs/dbraw/zinc/10/33/50/965103350.db2.gz MGKAZUDTRTUXBI-OXJNMPFZSA-N 2 2 367.497 2.962 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087469415 965302317 /nfs/dbraw/zinc/30/23/17/965302317.db2.gz BGEBUVSLVQUUBE-RTBURBONSA-N 2 2 356.445 2.573 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087469415 965302327 /nfs/dbraw/zinc/30/23/27/965302327.db2.gz BGEBUVSLVQUUBE-RTBURBONSA-N 2 2 356.445 2.573 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087777280 969005282 /nfs/dbraw/zinc/00/52/82/969005282.db2.gz SREBWYINMWOXRK-DLBZAZTESA-N 2 2 359.861 2.603 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087777280 969005286 /nfs/dbraw/zinc/00/52/86/969005286.db2.gz SREBWYINMWOXRK-DLBZAZTESA-N 2 2 359.861 2.603 20 30 FFEDLP C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665717558 974015210 /nfs/dbraw/zinc/01/52/10/974015210.db2.gz GQZUPCFVJPAXMA-PMACEKPBSA-N 2 2 370.541 2.642 20 30 FFEDLP C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665717558 974015216 /nfs/dbraw/zinc/01/52/16/974015216.db2.gz GQZUPCFVJPAXMA-PMACEKPBSA-N 2 2 370.541 2.642 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027449362 974522517 /nfs/dbraw/zinc/52/25/17/974522517.db2.gz YXUFAVBYISPVRX-IPMKNSEASA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027449362 974522526 /nfs/dbraw/zinc/52/25/26/974522526.db2.gz YXUFAVBYISPVRX-IPMKNSEASA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027449362 974522532 /nfs/dbraw/zinc/52/25/32/974522532.db2.gz YXUFAVBYISPVRX-IPMKNSEASA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027449362 974522538 /nfs/dbraw/zinc/52/25/38/974522538.db2.gz YXUFAVBYISPVRX-IPMKNSEASA-N 2 2 363.465 2.508 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211680362 975076187 /nfs/dbraw/zinc/07/61/87/975076187.db2.gz STRFQQNYQPGPEE-FFZOFVMBSA-N 2 2 352.482 2.891 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990744507 976798160 /nfs/dbraw/zinc/79/81/60/976798160.db2.gz VBHNGDQQJSVYHD-NXWNEQKCSA-N 2 2 368.525 2.843 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990744507 976798168 /nfs/dbraw/zinc/79/81/68/976798168.db2.gz VBHNGDQQJSVYHD-NXWNEQKCSA-N 2 2 368.525 2.843 20 30 FFEDLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)c2ccccc2)CC1 ZINC000876874727 1014406788 /nfs/dbraw/zinc/40/67/88/1014406788.db2.gz JOJXUPQEBYDCGK-LJQANCHMSA-N 2 2 369.900 2.685 20 30 FFEDLP C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000897624325 982436894 /nfs/dbraw/zinc/43/68/94/982436894.db2.gz IEVOVWBLXLOKQD-UHFFFAOYSA-N 2 2 371.506 2.963 20 30 FFEDLP C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000897624325 982436900 /nfs/dbraw/zinc/43/69/00/982436900.db2.gz IEVOVWBLXLOKQD-UHFFFAOYSA-N 2 2 371.506 2.963 20 30 FFEDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H](C#N)C3)CC2)cc1 ZINC000185761151 984017914 /nfs/dbraw/zinc/01/79/14/984017914.db2.gz NDYHPTWPEWNYLV-OALUTQOASA-N 2 2 356.514 2.879 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](c3cccnc3)[NH+](C)C)CCC[C@@H]12 ZINC001107647667 984941172 /nfs/dbraw/zinc/94/11/72/984941172.db2.gz SRTJSRSXZWMOBA-SFHLNBCPSA-N 2 2 356.514 2.621 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3cccnc3)[NH+](C)C)CCC[C@@H]12 ZINC001107647667 984941175 /nfs/dbraw/zinc/94/11/75/984941175.db2.gz SRTJSRSXZWMOBA-SFHLNBCPSA-N 2 2 356.514 2.621 20 30 FFEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000923565015 991258124 /nfs/dbraw/zinc/25/81/24/991258124.db2.gz BNIAEPWSFYMAEI-RTBURBONSA-N 2 2 368.525 2.707 20 30 FFEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000923565015 991258132 /nfs/dbraw/zinc/25/81/32/991258132.db2.gz BNIAEPWSFYMAEI-RTBURBONSA-N 2 2 368.525 2.707 20 30 FFEDLP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485254363 991879727 /nfs/dbraw/zinc/87/97/27/991879727.db2.gz SNLVUROFPYOMLC-QZTJIDSGSA-N 2 2 365.481 2.659 20 30 FFEDLP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485254363 991879734 /nfs/dbraw/zinc/87/97/34/991879734.db2.gz SNLVUROFPYOMLC-QZTJIDSGSA-N 2 2 365.481 2.659 20 30 FFEDLP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698265 992334554 /nfs/dbraw/zinc/33/45/54/992334554.db2.gz SEPAWRKVQYTVJN-TZIWHRDSSA-N 2 2 367.537 2.739 20 30 FFEDLP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079698265 992334564 /nfs/dbraw/zinc/33/45/64/992334564.db2.gz SEPAWRKVQYTVJN-TZIWHRDSSA-N 2 2 367.537 2.739 20 30 FFEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211481 1000199186 /nfs/dbraw/zinc/19/91/86/1000199186.db2.gz DPJJSRBSPIXIOR-KNQAVFIVSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211481 1000199187 /nfs/dbraw/zinc/19/91/87/1000199187.db2.gz DPJJSRBSPIXIOR-KNQAVFIVSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211481 1000199188 /nfs/dbraw/zinc/19/91/88/1000199188.db2.gz DPJJSRBSPIXIOR-KNQAVFIVSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211481 1000199189 /nfs/dbraw/zinc/19/91/89/1000199189.db2.gz DPJJSRBSPIXIOR-KNQAVFIVSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211485 1000199284 /nfs/dbraw/zinc/19/92/84/1000199284.db2.gz DPJJSRBSPIXIOR-UGKGYDQZSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211485 1000199286 /nfs/dbraw/zinc/19/92/86/1000199286.db2.gz DPJJSRBSPIXIOR-UGKGYDQZSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211485 1000199287 /nfs/dbraw/zinc/19/92/87/1000199287.db2.gz DPJJSRBSPIXIOR-UGKGYDQZSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211485 1000199289 /nfs/dbraw/zinc/19/92/89/1000199289.db2.gz DPJJSRBSPIXIOR-UGKGYDQZSA-N 2 2 371.525 2.550 20 30 FFEDLP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358841 1001352207 /nfs/dbraw/zinc/35/22/07/1001352207.db2.gz LSBDDNAKAVGNSC-ATZDWAIDSA-N 2 2 365.481 2.850 20 30 FFEDLP C[C@H](CCCC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358841 1001352213 /nfs/dbraw/zinc/35/22/13/1001352213.db2.gz LSBDDNAKAVGNSC-ATZDWAIDSA-N 2 2 365.481 2.850 20 30 FFEDLP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001183839238 1002407065 /nfs/dbraw/zinc/40/70/65/1002407065.db2.gz UDWGGGRYTBBMBH-PMACEKPBSA-N 2 2 354.498 2.513 20 30 FFEDLP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001183839238 1002407067 /nfs/dbraw/zinc/40/70/67/1002407067.db2.gz UDWGGGRYTBBMBH-PMACEKPBSA-N 2 2 354.498 2.513 20 30 FFEDLP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183839238 1002407072 /nfs/dbraw/zinc/40/70/72/1002407072.db2.gz UDWGGGRYTBBMBH-PMACEKPBSA-N 2 2 354.498 2.513 20 30 FFEDLP C[NH+]1CCC[C@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183839238 1002407076 /nfs/dbraw/zinc/40/70/76/1002407076.db2.gz UDWGGGRYTBBMBH-PMACEKPBSA-N 2 2 354.498 2.513 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001186203921 1003222885 /nfs/dbraw/zinc/22/28/85/1003222885.db2.gz VXCNCZDFCLJYIW-YLJYHZDGSA-N 2 2 370.472 2.510 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001186203921 1003222892 /nfs/dbraw/zinc/22/28/92/1003222892.db2.gz VXCNCZDFCLJYIW-YLJYHZDGSA-N 2 2 370.472 2.510 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)sc1C ZINC001095556332 1016752081 /nfs/dbraw/zinc/75/20/81/1016752081.db2.gz LWGUELGVYYQEDA-FYQPLNBISA-N 2 2 371.550 2.684 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)sc1C ZINC001095556332 1016752097 /nfs/dbraw/zinc/75/20/97/1016752097.db2.gz LWGUELGVYYQEDA-FYQPLNBISA-N 2 2 371.550 2.684 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)sc1C ZINC001095556332 1016752112 /nfs/dbraw/zinc/75/21/12/1016752112.db2.gz LWGUELGVYYQEDA-FYQPLNBISA-N 2 2 371.550 2.684 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)sc1C ZINC001095556332 1016752123 /nfs/dbraw/zinc/75/21/23/1016752123.db2.gz LWGUELGVYYQEDA-FYQPLNBISA-N 2 2 371.550 2.684 20 30 FFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1 ZINC001198007922 1004442381 /nfs/dbraw/zinc/44/23/81/1004442381.db2.gz SOZFIEPWWYWTOH-UHFFFAOYSA-N 2 2 351.454 2.589 20 30 FFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1 ZINC001198007922 1004442384 /nfs/dbraw/zinc/44/23/84/1004442384.db2.gz SOZFIEPWWYWTOH-UHFFFAOYSA-N 2 2 351.454 2.589 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001097065805 1016968766 /nfs/dbraw/zinc/96/87/66/1016968766.db2.gz FKZBMFLAWMEAPE-MXEMCNAFSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001097065805 1016968770 /nfs/dbraw/zinc/96/87/70/1016968770.db2.gz FKZBMFLAWMEAPE-MXEMCNAFSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097065805 1016968779 /nfs/dbraw/zinc/96/87/79/1016968779.db2.gz FKZBMFLAWMEAPE-MXEMCNAFSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097065805 1016968790 /nfs/dbraw/zinc/96/87/90/1016968790.db2.gz FKZBMFLAWMEAPE-MXEMCNAFSA-N 2 2 366.509 2.653 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388801 1006542877 /nfs/dbraw/zinc/54/28/77/1006542877.db2.gz UJIVEPXOJKFUMF-NLWGTHIKSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388801 1006542885 /nfs/dbraw/zinc/54/28/85/1006542885.db2.gz UJIVEPXOJKFUMF-NLWGTHIKSA-N 2 2 356.514 2.725 20 30 FFEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190230426 1007515468 /nfs/dbraw/zinc/51/54/68/1007515468.db2.gz YGMBOHPOFUNJSD-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001190230426 1007515471 /nfs/dbraw/zinc/51/54/71/1007515471.db2.gz YGMBOHPOFUNJSD-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001181499716 1010121800 /nfs/dbraw/zinc/12/18/00/1010121800.db2.gz ZLDCBIHBQQRLSP-JPAWQOSXSA-N 2 2 370.541 2.804 20 30 FFEDLP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093460043 1010286841 /nfs/dbraw/zinc/28/68/41/1010286841.db2.gz XPRMFDMSWAKSMM-RMEPHLEKSA-N 2 2 371.525 2.773 20 30 FFEDLP CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000865404666 1010775896 /nfs/dbraw/zinc/77/58/96/1010775896.db2.gz QPTXXCQEQZXACK-UHFFFAOYSA-N 2 2 364.493 2.746 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171640560 1011423852 /nfs/dbraw/zinc/42/38/52/1011423852.db2.gz FGYGJQPYANRGIU-UHFFFAOYSA-N 3 2 362.606 2.929 20 30 FFEDLP CCCC[N@H+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970027 1012134357 /nfs/dbraw/zinc/13/43/57/1012134357.db2.gz CFZUFJAZYSSNNI-IRXDYDNUSA-N 2 2 352.523 2.990 20 30 FFEDLP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970027 1012134367 /nfs/dbraw/zinc/13/43/67/1012134367.db2.gz CFZUFJAZYSSNNI-IRXDYDNUSA-N 2 2 352.523 2.990 20 30 FFEDLP CC1(C#N)CCC([N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001173596140 1012766234 /nfs/dbraw/zinc/76/62/34/1012766234.db2.gz LAOVJBFLDBBYAQ-UHFFFAOYSA-N 2 2 356.518 2.595 20 30 FFEDLP CC1(C#N)CCC([N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001173596140 1012766250 /nfs/dbraw/zinc/76/62/50/1012766250.db2.gz LAOVJBFLDBBYAQ-UHFFFAOYSA-N 2 2 356.518 2.595 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001110993277 1020091990 /nfs/dbraw/zinc/09/19/90/1020091990.db2.gz UHRVOAFABJTFBF-RSPOEFSDSA-N 2 2 372.488 2.505 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001039172218 1022735008 /nfs/dbraw/zinc/73/50/08/1022735008.db2.gz PIRFONOQMWVRMO-GUDVDZBRSA-N 2 2 356.514 2.660 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001039172218 1022735015 /nfs/dbraw/zinc/73/50/15/1022735015.db2.gz PIRFONOQMWVRMO-GUDVDZBRSA-N 2 2 356.514 2.660 20 30 FFEDLP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000948380986 1023243119 /nfs/dbraw/zinc/24/31/19/1023243119.db2.gz AYEJDQWQNMVICD-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000948380986 1023243126 /nfs/dbraw/zinc/24/31/26/1023243126.db2.gz AYEJDQWQNMVICD-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC001120496239 1023340929 /nfs/dbraw/zinc/34/09/29/1023340929.db2.gz ZEKDJJMCXABUEL-GOSISDBHSA-N 2 2 363.477 2.559 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)c1 ZINC001120503512 1023342977 /nfs/dbraw/zinc/34/29/77/1023342977.db2.gz SJXIZSAIFVTARU-OAQYLSRUSA-N 2 2 353.441 2.985 20 30 FFEDLP CC[C@](O)(C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C(F)(F)F ZINC001120589880 1023373969 /nfs/dbraw/zinc/37/39/69/1023373969.db2.gz JSIKQNNYZGXOPF-KRWDZBQOSA-N 2 2 355.404 2.816 20 30 FFEDLP CN(C(=O)C#Cc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755216019 1023579469 /nfs/dbraw/zinc/57/94/69/1023579469.db2.gz ZDXIQTAHUCWNMP-FCHUYYIVSA-N 2 2 367.537 2.834 20 30 FFEDLP CN(C(=O)C#Cc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755216019 1023579473 /nfs/dbraw/zinc/57/94/73/1023579473.db2.gz ZDXIQTAHUCWNMP-FCHUYYIVSA-N 2 2 367.537 2.834 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001101980688 1025240058 /nfs/dbraw/zinc/24/00/58/1025240058.db2.gz HXOQPZAJTUAJNI-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H](C)C1 ZINC001101980688 1025240068 /nfs/dbraw/zinc/24/00/68/1025240068.db2.gz HXOQPZAJTUAJNI-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)n1cc[nH+]c1 ZINC001102413560 1025929303 /nfs/dbraw/zinc/92/93/03/1025929303.db2.gz LPQBLAGEWPJAKU-MBOZVWFJSA-N 2 2 365.481 2.590 20 30 FFEDLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)n1cc[nH+]c1 ZINC001102413560 1025929310 /nfs/dbraw/zinc/92/93/10/1025929310.db2.gz LPQBLAGEWPJAKU-MBOZVWFJSA-N 2 2 365.481 2.590 20 30 FFEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001102986376 1026857952 /nfs/dbraw/zinc/85/79/52/1026857952.db2.gz WZOHPNNMHBQNEZ-VQIMIIECSA-N 2 2 370.497 2.533 20 30 FFEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001102986376 1026857958 /nfs/dbraw/zinc/85/79/58/1026857958.db2.gz WZOHPNNMHBQNEZ-VQIMIIECSA-N 2 2 370.497 2.533 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163658 1027020469 /nfs/dbraw/zinc/02/04/69/1027020469.db2.gz QXVKRAQQTQUIKT-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163658 1027020476 /nfs/dbraw/zinc/02/04/76/1027020476.db2.gz QXVKRAQQTQUIKT-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163658 1027020480 /nfs/dbraw/zinc/02/04/80/1027020480.db2.gz QXVKRAQQTQUIKT-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163658 1027020487 /nfs/dbraw/zinc/02/04/87/1027020487.db2.gz QXVKRAQQTQUIKT-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@@H+]2CCCC2(C)C)CC1=O ZINC000840702508 1027218617 /nfs/dbraw/zinc/21/86/17/1027218617.db2.gz AOEGGHQBIOSEED-UHFFFAOYSA-N 2 2 367.497 2.521 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@H+]2CCCC2(C)C)CC1=O ZINC000840702508 1027218639 /nfs/dbraw/zinc/21/86/39/1027218639.db2.gz AOEGGHQBIOSEED-UHFFFAOYSA-N 2 2 367.497 2.521 20 30 FFEDLP C#CC[C@]1(C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)CCC[NH2+]1 ZINC001160595475 1027769703 /nfs/dbraw/zinc/76/97/03/1027769703.db2.gz PJVVBDGOHJQTJT-HSZRJFAPSA-N 2 2 367.537 2.774 20 30 FFEDLP Cc1ccc(CC#N)c(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)[nH+]1 ZINC001165911046 1030168098 /nfs/dbraw/zinc/16/80/98/1030168098.db2.gz NLVFUBCKDGXSBD-UHFFFAOYSA-N 2 2 350.470 2.705 20 30 FFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001221656355 1034954887 /nfs/dbraw/zinc/95/48/87/1034954887.db2.gz MBSIRJMRDLQVOO-IPMKNSEASA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001221656355 1034954893 /nfs/dbraw/zinc/95/48/93/1034954893.db2.gz MBSIRJMRDLQVOO-IPMKNSEASA-N 2 2 358.530 2.949 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001228157406 1035963461 /nfs/dbraw/zinc/96/34/61/1035963461.db2.gz BXDGAGDCZFCCIA-VAMGGRTRSA-N 2 2 363.546 2.613 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001228157406 1035963477 /nfs/dbraw/zinc/96/34/77/1035963477.db2.gz BXDGAGDCZFCCIA-VAMGGRTRSA-N 2 2 363.546 2.613 20 30 FFEDLP C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4[nH]cc(C5CC[NH+](C)CC5)c4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228828107 1036348158 /nfs/dbraw/zinc/34/81/58/1036348158.db2.gz BPBLRVDGNWTFQZ-KIJPTRKTSA-N 2 2 367.493 2.968 20 30 FFEDLP C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4[nH]cc(C5CC[NH+](C)CC5)c4c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228828107 1036348176 /nfs/dbraw/zinc/34/81/76/1036348176.db2.gz BPBLRVDGNWTFQZ-KIJPTRKTSA-N 2 2 367.493 2.968 20 30 FFEDLP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)C[NH2+]1 ZINC001246332824 1039316433 /nfs/dbraw/zinc/31/64/33/1039316433.db2.gz JKAUQTQNRXWNTF-LAUBAEHRSA-N 2 2 359.473 2.663 20 30 FFEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001252126168 1039440472 /nfs/dbraw/zinc/44/04/72/1039440472.db2.gz MFBQUPNLETYOFW-GOSISDBHSA-N 2 2 374.533 2.840 20 30 FFEDLP CCCCCCCC[C@@H](O)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001252126168 1039440478 /nfs/dbraw/zinc/44/04/78/1039440478.db2.gz MFBQUPNLETYOFW-GOSISDBHSA-N 2 2 374.533 2.840 20 30 FFEDLP C=CCC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001252619190 1039615248 /nfs/dbraw/zinc/61/52/48/1039615248.db2.gz BVBOJDRBTGQKPU-DHIUTWEWSA-N 2 2 368.521 2.966 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](OC)C1 ZINC001213232872 1040359848 /nfs/dbraw/zinc/35/98/48/1040359848.db2.gz NPQNTCMWQMYNTI-PWIZWCRZSA-N 2 2 368.481 2.656 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](OC)C1 ZINC001213232872 1040359866 /nfs/dbraw/zinc/35/98/66/1040359866.db2.gz NPQNTCMWQMYNTI-PWIZWCRZSA-N 2 2 368.481 2.656 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249430710 1040760638 /nfs/dbraw/zinc/76/06/38/1040760638.db2.gz DMHGNSBBZQMGEY-UHFFFAOYSA-N 2 2 363.509 2.831 20 30 FFEDLP COc1cccc([C@H](O)C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC001250737345 1041335862 /nfs/dbraw/zinc/33/58/62/1041335862.db2.gz RJDZKFQVURISHS-JOCHJYFZSA-N 2 2 365.477 2.854 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001214655881 1041521118 /nfs/dbraw/zinc/52/11/18/1041521118.db2.gz TYXOVQYZGUOAIX-NCXUSEDFSA-N 2 2 356.514 2.557 20 30 FFEDLP N#Cc1cccc(C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)c1 ZINC001265164564 1042845415 /nfs/dbraw/zinc/84/54/15/1042845415.db2.gz MPGLLWDBMAADSY-RTBURBONSA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1cccc(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)c1 ZINC001265164564 1042845420 /nfs/dbraw/zinc/84/54/20/1042845420.db2.gz MPGLLWDBMAADSY-RTBURBONSA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1cccc(C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)c1 ZINC001265164564 1042845425 /nfs/dbraw/zinc/84/54/25/1042845425.db2.gz MPGLLWDBMAADSY-RTBURBONSA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1cccc(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)c1 ZINC001265164564 1042845428 /nfs/dbraw/zinc/84/54/28/1042845428.db2.gz MPGLLWDBMAADSY-RTBURBONSA-N 2 2 363.465 2.556 20 30 FFEDLP C=CC[NH2+]CCN1CC[NH+]([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001237466458 1043182371 /nfs/dbraw/zinc/18/23/71/1043182371.db2.gz WCPPZKVBDRHQJZ-HNNXBMFYSA-N 2 2 352.320 2.903 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001278184527 1043516701 /nfs/dbraw/zinc/51/67/01/1043516701.db2.gz NTYWRMDYQPMHQR-DFQSSKMNSA-N 2 2 368.525 2.805 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)c(C#N)c4)C[C@@H]3C2)cn1 ZINC001238192114 1043602352 /nfs/dbraw/zinc/60/23/52/1043602352.db2.gz PRHTVKZTZTWJAW-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(Cl)c(C#N)c4)C[C@@H]3C2)cn1 ZINC001238192114 1043602360 /nfs/dbraw/zinc/60/23/60/1043602360.db2.gz PRHTVKZTZTWJAW-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(Cl)c(C#N)c4)C[C@@H]3C2)cn1 ZINC001238192114 1043602363 /nfs/dbraw/zinc/60/23/63/1043602363.db2.gz PRHTVKZTZTWJAW-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)c(C#N)c4)C[C@@H]3C2)cn1 ZINC001238192114 1043602366 /nfs/dbraw/zinc/60/23/66/1043602366.db2.gz PRHTVKZTZTWJAW-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP C#C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC001329238421 1048629349 /nfs/dbraw/zinc/62/93/49/1048629349.db2.gz AWLLTAUVNLOFJI-HXUWFJFHSA-N 2 2 368.525 2.610 20 30 FFEDLP C#CCN(C(=O)C[N@@H+](CC)Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001456167745 1060032305 /nfs/dbraw/zinc/03/23/05/1060032305.db2.gz DHXFHIZMSWAWNC-UHFFFAOYSA-N 2 2 361.917 2.718 20 30 FFEDLP C#CCN(C(=O)C[N@H+](CC)Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC001456167745 1060032326 /nfs/dbraw/zinc/03/23/26/1060032326.db2.gz DHXFHIZMSWAWNC-UHFFFAOYSA-N 2 2 361.917 2.718 20 30 FFEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001479480844 1062460086 /nfs/dbraw/zinc/46/00/86/1062460086.db2.gz BYWZFMNEENRZBE-SOUVJXGZSA-N 2 2 371.510 2.596 20 30 FFEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001479480844 1062460091 /nfs/dbraw/zinc/46/00/91/1062460091.db2.gz BYWZFMNEENRZBE-SOUVJXGZSA-N 2 2 371.510 2.596 20 30 FFEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000410412714 512255988 /nfs/dbraw/zinc/25/59/88/512255988.db2.gz DWPBATQTZVCRTK-NJYVYQBISA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000410412714 512255990 /nfs/dbraw/zinc/25/59/90/512255990.db2.gz DWPBATQTZVCRTK-NJYVYQBISA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC000410412714 512255992 /nfs/dbraw/zinc/25/59/92/512255992.db2.gz DWPBATQTZVCRTK-NJYVYQBISA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1=O ZINC000410412714 512255995 /nfs/dbraw/zinc/25/59/95/512255995.db2.gz DWPBATQTZVCRTK-NJYVYQBISA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000093017680 508115034 /nfs/dbraw/zinc/11/50/34/508115034.db2.gz JWVFVLBRPIKGKT-LJQANCHMSA-N 2 2 360.498 2.804 20 30 FFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC000093017680 508115036 /nfs/dbraw/zinc/11/50/36/508115036.db2.gz JWVFVLBRPIKGKT-LJQANCHMSA-N 2 2 360.498 2.804 20 30 FFEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081634039 508199151 /nfs/dbraw/zinc/19/91/51/508199151.db2.gz KOLQAJJSARJTJI-LJQANCHMSA-N 2 2 354.498 2.597 20 30 FFEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081634039 508199153 /nfs/dbraw/zinc/19/91/53/508199153.db2.gz KOLQAJJSARJTJI-LJQANCHMSA-N 2 2 354.498 2.597 20 30 FFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081634039 508199154 /nfs/dbraw/zinc/19/91/54/508199154.db2.gz KOLQAJJSARJTJI-LJQANCHMSA-N 2 2 354.498 2.597 20 30 FFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081634039 508199156 /nfs/dbraw/zinc/19/91/56/508199156.db2.gz KOLQAJJSARJTJI-LJQANCHMSA-N 2 2 354.498 2.597 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C(N)=O)cc1 ZINC000115595901 508415773 /nfs/dbraw/zinc/41/57/73/508415773.db2.gz ASXDHZOVMTWPKM-OAQYLSRUSA-N 2 2 362.477 2.860 20 30 FFEDLP C=CCCCCCN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000154129578 508722571 /nfs/dbraw/zinc/72/25/71/508722571.db2.gz SWIXIOHNPVJOBV-UHFFFAOYSA-N 2 2 350.551 2.933 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000137460335 508757182 /nfs/dbraw/zinc/75/71/82/508757182.db2.gz OREWIFKTKOHRTO-AEFFLSMTSA-N 2 2 367.534 2.641 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150835142 508903766 /nfs/dbraw/zinc/90/37/66/508903766.db2.gz POAUVKASPQXCBR-RTBURBONSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150835142 508903768 /nfs/dbraw/zinc/90/37/68/508903768.db2.gz POAUVKASPQXCBR-RTBURBONSA-N 2 2 354.498 2.739 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000264401140 509505535 /nfs/dbraw/zinc/50/55/35/509505535.db2.gz QKHPOYASZMXLCY-UHFFFAOYSA-N 2 2 357.502 2.522 20 30 FFEDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000173617320 509678760 /nfs/dbraw/zinc/67/87/60/509678760.db2.gz KFTARGZOKKSFES-INIZCTEOSA-N 2 2 360.477 2.923 20 30 FFEDLP COc1ccccc1CNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000170910343 509843212 /nfs/dbraw/zinc/84/32/12/509843212.db2.gz DUKKYFFIGCVRRE-UHFFFAOYSA-N 2 2 353.401 2.625 20 30 FFEDLP Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000245562316 510008000 /nfs/dbraw/zinc/00/80/00/510008000.db2.gz CNBLKGSXQJUESJ-LRDDRELGSA-N 2 2 357.483 2.955 20 30 FFEDLP CC[NH+]=C(NCc1nccn1C(F)F)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261957072 510127956 /nfs/dbraw/zinc/12/79/56/510127956.db2.gz JBKVJEIROMFWMY-UONOGXRCSA-N 2 2 365.432 2.523 20 30 FFEDLP COc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181443126 510411158 /nfs/dbraw/zinc/41/11/58/510411158.db2.gz SLTPPCMKAOATKI-QFIPXVFZSA-N 2 2 365.477 2.854 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1 ZINC000181590006 510489098 /nfs/dbraw/zinc/48/90/98/510489098.db2.gz GTANBFFKDTVUCP-OAQYLSRUSA-N 2 2 374.488 2.918 20 30 FFEDLP COCCC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181660145 510526119 /nfs/dbraw/zinc/52/61/19/510526119.db2.gz PSDRRWKTXUKVAE-UHFFFAOYSA-N 3 2 370.541 2.613 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOCC3CCOCC3)CC2)cc1 ZINC000181789675 510593286 /nfs/dbraw/zinc/59/32/86/510593286.db2.gz FCCDHXBHZZDPEN-UHFFFAOYSA-N 2 2 371.525 2.946 20 30 FFEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCc2ccccc2C1 ZINC000263229950 510620591 /nfs/dbraw/zinc/62/05/91/510620591.db2.gz HWKILCHONNBWFJ-UHFFFAOYSA-N 2 2 351.498 2.786 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247026215 510806508 /nfs/dbraw/zinc/80/65/08/510806508.db2.gz QXYABVQQZGPDNZ-KGLIPLIRSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247026215 510806509 /nfs/dbraw/zinc/80/65/09/510806509.db2.gz QXYABVQQZGPDNZ-KGLIPLIRSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247026215 510806513 /nfs/dbraw/zinc/80/65/13/510806513.db2.gz QXYABVQQZGPDNZ-KGLIPLIRSA-N 2 2 360.527 2.709 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247026215 510806514 /nfs/dbraw/zinc/80/65/14/510806514.db2.gz QXYABVQQZGPDNZ-KGLIPLIRSA-N 2 2 360.527 2.709 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000247055674 510819062 /nfs/dbraw/zinc/81/90/62/510819062.db2.gz LPPXPULSQPBVCG-QUCCMNQESA-N 2 2 352.482 2.614 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000247055674 510819063 /nfs/dbraw/zinc/81/90/63/510819063.db2.gz LPPXPULSQPBVCG-QUCCMNQESA-N 2 2 352.482 2.614 20 30 FFEDLP CC[NH+](CC)CCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000191779739 510827971 /nfs/dbraw/zinc/82/79/71/510827971.db2.gz OOFGFHVNKJKGPV-UHFFFAOYSA-N 2 2 351.498 2.960 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247128884 510842363 /nfs/dbraw/zinc/84/23/63/510842363.db2.gz AQVGKGNDLJOHLJ-UWVAXJGDSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247128884 510842367 /nfs/dbraw/zinc/84/23/67/510842367.db2.gz AQVGKGNDLJOHLJ-UWVAXJGDSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247128884 510842370 /nfs/dbraw/zinc/84/23/70/510842370.db2.gz AQVGKGNDLJOHLJ-UWVAXJGDSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247128884 510842372 /nfs/dbraw/zinc/84/23/72/510842372.db2.gz AQVGKGNDLJOHLJ-UWVAXJGDSA-N 2 2 372.488 2.877 20 30 FFEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329936200 510881805 /nfs/dbraw/zinc/88/18/05/510881805.db2.gz CYEQVJHOIWOUJT-GOSISDBHSA-N 2 2 353.470 2.704 20 30 FFEDLP C[N@@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)CC[C@@H]21 ZINC000330121692 510921002 /nfs/dbraw/zinc/92/10/02/510921002.db2.gz GZEJTAWFGNWRST-ZACQAIPSSA-N 2 2 373.545 2.826 20 30 FFEDLP C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)CC[C@@H]21 ZINC000330121692 510921007 /nfs/dbraw/zinc/92/10/07/510921007.db2.gz GZEJTAWFGNWRST-ZACQAIPSSA-N 2 2 373.545 2.826 20 30 FFEDLP N#CCCn1cc(C[NH2+]CCCNc2cccc[nH+]2)c(-c2ccncc2)n1 ZINC000278542496 510996781 /nfs/dbraw/zinc/99/67/81/510996781.db2.gz AEZHOARQDYHQJW-UHFFFAOYSA-N 2 2 361.453 2.846 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[N@@H+]1C1CC1 ZINC000278602462 511000851 /nfs/dbraw/zinc/00/08/51/511000851.db2.gz IALXCQRTEZHTKM-QAPCUYQASA-N 2 2 350.470 2.574 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[N@H+]1C1CC1 ZINC000278602462 511000855 /nfs/dbraw/zinc/00/08/55/511000855.db2.gz IALXCQRTEZHTKM-QAPCUYQASA-N 2 2 350.470 2.574 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282597759 511040313 /nfs/dbraw/zinc/04/03/13/511040313.db2.gz XPTRBLCEVFNQGN-UGKGYDQZSA-N 2 2 370.541 2.931 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282597759 511040318 /nfs/dbraw/zinc/04/03/18/511040318.db2.gz XPTRBLCEVFNQGN-UGKGYDQZSA-N 2 2 370.541 2.931 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282597757 511040631 /nfs/dbraw/zinc/04/06/31/511040631.db2.gz XPTRBLCEVFNQGN-SIKLNZKXSA-N 2 2 370.541 2.931 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282597757 511040635 /nfs/dbraw/zinc/04/06/35/511040635.db2.gz XPTRBLCEVFNQGN-SIKLNZKXSA-N 2 2 370.541 2.931 20 30 FFEDLP C=C(C)COc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1OC ZINC000362376428 511182515 /nfs/dbraw/zinc/18/25/15/511182515.db2.gz NTLIOAOOQPAULQ-HXUWFJFHSA-N 2 2 373.541 2.862 20 30 FFEDLP C=C(C)COc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1OC ZINC000362376428 511182520 /nfs/dbraw/zinc/18/25/20/511182520.db2.gz NTLIOAOOQPAULQ-HXUWFJFHSA-N 2 2 373.541 2.862 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)Cc3cccc(F)c3)CC2)cc1 ZINC000295109244 511285026 /nfs/dbraw/zinc/28/50/26/511285026.db2.gz LKSOYCSTONVTQJ-QFIPXVFZSA-N 2 2 367.468 2.855 20 30 FFEDLP CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000271913459 511369151 /nfs/dbraw/zinc/36/91/51/511369151.db2.gz YGTJQEFCRGWUHJ-FPOVZHCZSA-N 2 2 368.525 2.759 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000280248200 511392169 /nfs/dbraw/zinc/39/21/69/511392169.db2.gz OFJXBKKUEFCBBJ-HNNXBMFYSA-N 2 2 353.470 2.742 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292080398 511458510 /nfs/dbraw/zinc/45/85/10/511458510.db2.gz FSFMEULEKYKVKU-GHTZIAJQSA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292080398 511458516 /nfs/dbraw/zinc/45/85/16/511458516.db2.gz FSFMEULEKYKVKU-GHTZIAJQSA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292080398 511458518 /nfs/dbraw/zinc/45/85/18/511458518.db2.gz FSFMEULEKYKVKU-GHTZIAJQSA-N 2 2 354.498 2.658 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292080398 511458522 /nfs/dbraw/zinc/45/85/22/511458522.db2.gz FSFMEULEKYKVKU-GHTZIAJQSA-N 2 2 354.498 2.658 20 30 FFEDLP C[NH+](C)CCCN(CCC#N)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000299668073 511665189 /nfs/dbraw/zinc/66/51/89/511665189.db2.gz RMNNSNOGOHCORX-JXMROGBWSA-N 2 2 351.454 2.579 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329723215 512090286 /nfs/dbraw/zinc/09/02/86/512090286.db2.gz NPPFUHFIGNSUQE-AEFFLSMTSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329723215 512090290 /nfs/dbraw/zinc/09/02/90/512090290.db2.gz NPPFUHFIGNSUQE-AEFFLSMTSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329723215 512090293 /nfs/dbraw/zinc/09/02/93/512090293.db2.gz NPPFUHFIGNSUQE-AEFFLSMTSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329723215 512090296 /nfs/dbraw/zinc/09/02/96/512090296.db2.gz NPPFUHFIGNSUQE-AEFFLSMTSA-N 2 2 367.497 2.777 20 30 FFEDLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329828150 512102394 /nfs/dbraw/zinc/10/23/94/512102394.db2.gz RUSKVWKCGODIIU-CVEARBPZSA-N 2 2 361.877 2.960 20 30 FFEDLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329828150 512102396 /nfs/dbraw/zinc/10/23/96/512102396.db2.gz RUSKVWKCGODIIU-CVEARBPZSA-N 2 2 361.877 2.960 20 30 FFEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000377889029 512499501 /nfs/dbraw/zinc/49/95/01/512499501.db2.gz UBVAGIOTKDYHNR-HXUWFJFHSA-N 2 2 372.557 2.574 20 30 FFEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000377889029 512499505 /nfs/dbraw/zinc/49/95/05/512499505.db2.gz UBVAGIOTKDYHNR-HXUWFJFHSA-N 2 2 372.557 2.574 20 30 FFEDLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000380624376 512872929 /nfs/dbraw/zinc/87/29/29/512872929.db2.gz SLZAPEBFVKNVDO-DUXKGJEZSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000380624376 512872935 /nfs/dbraw/zinc/87/29/35/512872935.db2.gz SLZAPEBFVKNVDO-DUXKGJEZSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000432376722 514177048 /nfs/dbraw/zinc/17/70/48/514177048.db2.gz YXLJOJXIXUUDLS-TYCQWZJGSA-N 2 2 362.477 2.727 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000432376722 514177054 /nfs/dbraw/zinc/17/70/54/514177054.db2.gz YXLJOJXIXUUDLS-TYCQWZJGSA-N 2 2 362.477 2.727 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)C ZINC000489346960 514807835 /nfs/dbraw/zinc/80/78/35/514807835.db2.gz WTBRZJJDZLWUEF-IBGZPJMESA-N 2 2 353.470 2.696 20 30 FFEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000484909666 514838926 /nfs/dbraw/zinc/83/89/26/514838926.db2.gz MUZLNIFRAYJSOK-UHFFFAOYSA-N 2 2 356.514 2.966 20 30 FFEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000484909666 514838932 /nfs/dbraw/zinc/83/89/32/514838932.db2.gz MUZLNIFRAYJSOK-UHFFFAOYSA-N 2 2 356.514 2.966 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)c3cccc(F)c3)CC2)cc1 ZINC000540609444 516639071 /nfs/dbraw/zinc/63/90/71/516639071.db2.gz YOLRQURDPJCIBT-OAQYLSRUSA-N 2 2 353.441 2.985 20 30 FFEDLP CCC[NH+]1CCC([NH+](C)CC#CC[N@@H+](C)C2CC[NH+](CCC)CC2)CC1 ZINC000551700097 516827584 /nfs/dbraw/zinc/82/75/84/516827584.db2.gz VUMHXXCHJLLLLL-UHFFFAOYSA-N 4 2 362.606 2.602 20 30 FFEDLP CCC[NH+]1CCC([NH+](C)CC#CC[N@H+](C)C2CC[NH+](CCC)CC2)CC1 ZINC000551700097 516827590 /nfs/dbraw/zinc/82/75/90/516827590.db2.gz VUMHXXCHJLLLLL-UHFFFAOYSA-N 4 2 362.606 2.602 20 30 FFEDLP CC[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@@H+]1CCc2ccccc2C1 ZINC000555552109 516973350 /nfs/dbraw/zinc/97/33/50/516973350.db2.gz GYCWSEQCXIODTH-HXUWFJFHSA-N 2 2 360.465 2.527 20 30 FFEDLP CC[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@H+]1CCc2ccccc2C1 ZINC000555552109 516973357 /nfs/dbraw/zinc/97/33/57/516973357.db2.gz GYCWSEQCXIODTH-HXUWFJFHSA-N 2 2 360.465 2.527 20 30 FFEDLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000538043955 517451254 /nfs/dbraw/zinc/45/12/54/517451254.db2.gz OEHQLTHLQNBODN-ROUUACIJSA-N 2 2 357.498 2.648 20 30 FFEDLP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c[nH+]1 ZINC000535060533 518141414 /nfs/dbraw/zinc/14/14/14/518141414.db2.gz CFSMBLBKBZNAKR-UHFFFAOYSA-N 2 2 351.454 2.588 20 30 FFEDLP C[C@H]1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000564211517 518353193 /nfs/dbraw/zinc/35/31/93/518353193.db2.gz LPZGLULCKFIIKV-JXFKEZNVSA-N 2 2 360.465 2.744 20 30 FFEDLP C[C@H]1C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1Cc1ccccc1 ZINC000564211517 518353195 /nfs/dbraw/zinc/35/31/95/518353195.db2.gz LPZGLULCKFIIKV-JXFKEZNVSA-N 2 2 360.465 2.744 20 30 FFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCOc3ccc(C#N)cc3)c2cc1C ZINC000576512223 518628672 /nfs/dbraw/zinc/62/86/72/518628672.db2.gz QHJMPAYNXJDTOF-SFHVURJKSA-N 2 2 364.449 2.554 20 30 FFEDLP C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000571910584 519343486 /nfs/dbraw/zinc/34/34/86/519343486.db2.gz LTBPJTOSMNHDHP-NBHGPNQESA-N 2 2 353.466 2.579 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595550910 520547084 /nfs/dbraw/zinc/54/70/84/520547084.db2.gz FAUNZRYFQNMKNE-NRFANRHFSA-N 2 2 367.497 2.872 20 30 FFEDLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H](CC#N)C3)CC2)cc1 ZINC000595611666 520592897 /nfs/dbraw/zinc/59/28/97/520592897.db2.gz MRKOFNYNNDNNTB-HXUWFJFHSA-N 2 2 368.525 2.655 20 30 FFEDLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H](CC#N)C3)CC2)cc1 ZINC000595611666 520592907 /nfs/dbraw/zinc/59/29/07/520592907.db2.gz MRKOFNYNNDNNTB-HXUWFJFHSA-N 2 2 368.525 2.655 20 30 FFEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H](CC#N)C3)CC2)cc1 ZINC000595611666 520592915 /nfs/dbraw/zinc/59/29/15/520592915.db2.gz MRKOFNYNNDNNTB-HXUWFJFHSA-N 2 2 368.525 2.655 20 30 FFEDLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H](CC#N)C3)CC2)cc1 ZINC000595611666 520592924 /nfs/dbraw/zinc/59/29/24/520592924.db2.gz MRKOFNYNNDNNTB-HXUWFJFHSA-N 2 2 368.525 2.655 20 30 FFEDLP N#CCc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000601130159 520651640 /nfs/dbraw/zinc/65/16/40/520651640.db2.gz QEPWXNKMWLLGDV-UHFFFAOYSA-N 2 2 365.477 2.753 20 30 FFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(C#N)cc3F)c2cc1C ZINC000610946925 520914661 /nfs/dbraw/zinc/91/46/61/520914661.db2.gz CECXLPLLPTYDMR-KRWDZBQOSA-N 2 2 352.413 2.815 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccnn3-c3ccccn3)CC2)c1 ZINC000593691582 521159931 /nfs/dbraw/zinc/15/99/31/521159931.db2.gz DEEPVVLETKRNMS-UHFFFAOYSA-N 2 2 372.476 2.893 20 30 FFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)(C)n1cncn1 ZINC000593723766 521176047 /nfs/dbraw/zinc/17/60/47/521176047.db2.gz YNQRYDNMMCELTG-MRXNPFEDSA-N 2 2 352.486 2.528 20 30 FFEDLP C=C(Cl)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046941350 743339135 /nfs/dbraw/zinc/33/91/35/743339135.db2.gz LMGZRFHOZVIYBR-SOUVJXGZSA-N 2 2 363.880 2.543 20 30 FFEDLP C=C(Cl)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046941350 743339148 /nfs/dbraw/zinc/33/91/48/743339148.db2.gz LMGZRFHOZVIYBR-SOUVJXGZSA-N 2 2 363.880 2.543 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941350 743339157 /nfs/dbraw/zinc/33/91/57/743339157.db2.gz LMGZRFHOZVIYBR-SOUVJXGZSA-N 2 2 363.880 2.543 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941350 743339165 /nfs/dbraw/zinc/33/91/65/743339165.db2.gz LMGZRFHOZVIYBR-SOUVJXGZSA-N 2 2 363.880 2.543 20 30 FFEDLP C=C(Cl)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046941349 743339878 /nfs/dbraw/zinc/33/98/78/743339878.db2.gz LMGZRFHOZVIYBR-QLFBSQMISA-N 2 2 363.880 2.543 20 30 FFEDLP C=C(Cl)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046941349 743339888 /nfs/dbraw/zinc/33/98/88/743339888.db2.gz LMGZRFHOZVIYBR-QLFBSQMISA-N 2 2 363.880 2.543 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941349 743339895 /nfs/dbraw/zinc/33/98/95/743339895.db2.gz LMGZRFHOZVIYBR-QLFBSQMISA-N 2 2 363.880 2.543 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046941349 743339903 /nfs/dbraw/zinc/33/99/03/743339903.db2.gz LMGZRFHOZVIYBR-QLFBSQMISA-N 2 2 363.880 2.543 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001087157928 963996219 /nfs/dbraw/zinc/99/62/19/963996219.db2.gz FCBMFANMZKUEOQ-CABCVRRESA-N 2 2 371.510 2.692 20 30 FFEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCSC(C)(C)C1 ZINC000261942846 964795180 /nfs/dbraw/zinc/79/51/80/964795180.db2.gz MWGOYAAVQLMHJR-UHFFFAOYSA-N 2 2 372.542 2.869 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1c1ccccc1 ZINC001211625505 968266574 /nfs/dbraw/zinc/26/65/74/968266574.db2.gz JSQYTXVRJHPINC-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=C)C)CC[C@@H]1c1ccccc1 ZINC001087429917 975896354 /nfs/dbraw/zinc/89/63/54/975896354.db2.gz KMSJQAYKSSCWHI-VSKRKVRLSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=C)C)CC[C@@H]1c1ccccc1 ZINC001087429917 975896364 /nfs/dbraw/zinc/89/63/64/975896364.db2.gz KMSJQAYKSSCWHI-VSKRKVRLSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=C)C)CC[C@@H]1c1ccccc1 ZINC001087429917 975896375 /nfs/dbraw/zinc/89/63/75/975896375.db2.gz KMSJQAYKSSCWHI-VSKRKVRLSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=C)C)CC[C@@H]1c1ccccc1 ZINC001087429917 975896380 /nfs/dbraw/zinc/89/63/80/975896380.db2.gz KMSJQAYKSSCWHI-VSKRKVRLSA-N 2 2 365.521 2.634 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000907304742 981227100 /nfs/dbraw/zinc/22/71/00/981227100.db2.gz FPHPBYXQFZXSLH-FUHWJXTLSA-N 2 2 369.431 2.863 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000907304742 981227104 /nfs/dbraw/zinc/22/71/04/981227104.db2.gz FPHPBYXQFZXSLH-FUHWJXTLSA-N 2 2 369.431 2.863 20 30 FFEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544174 982394511 /nfs/dbraw/zinc/39/45/11/982394511.db2.gz CKGJAYGDNNSYTE-LMMKCTJWSA-N 2 2 354.498 2.678 20 30 FFEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001105544174 982394517 /nfs/dbraw/zinc/39/45/17/982394517.db2.gz CKGJAYGDNNSYTE-LMMKCTJWSA-N 2 2 354.498 2.678 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]ccc3OC)CCC[C@@H]12 ZINC001107448198 984548676 /nfs/dbraw/zinc/54/86/76/984548676.db2.gz FSLGFFCKCMCBBN-TZIWHRDSSA-N 2 2 357.498 2.960 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]ccc3OC)CCC[C@@H]12 ZINC001107448198 984548680 /nfs/dbraw/zinc/54/86/80/984548680.db2.gz FSLGFFCKCMCBBN-TZIWHRDSSA-N 2 2 357.498 2.960 20 30 FFEDLP C[C@@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272836966 986735653 /nfs/dbraw/zinc/73/56/53/986735653.db2.gz AWIABJNFZCIZAC-BMGDILEWSA-N 2 2 370.884 2.703 20 30 FFEDLP C[C@@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272836966 986735656 /nfs/dbraw/zinc/73/56/56/986735656.db2.gz AWIABJNFZCIZAC-BMGDILEWSA-N 2 2 370.884 2.703 20 30 FFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343226 987988566 /nfs/dbraw/zinc/98/85/66/987988566.db2.gz VCCZJOZVABRKNC-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710758 988731368 /nfs/dbraw/zinc/73/13/68/988731368.db2.gz VFURBGYNMBDHGE-SVFBPWRDSA-N 2 2 364.493 2.570 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1F ZINC001079303904 991975556 /nfs/dbraw/zinc/97/55/56/991975556.db2.gz GUCDUMLOLUQKRI-PKOBYXMFSA-N 2 2 370.472 2.652 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1F ZINC001079319596 991995365 /nfs/dbraw/zinc/99/53/65/991995365.db2.gz FTMANOZMNULAMW-QFBILLFUSA-N 2 2 356.445 2.560 20 30 FFEDLP C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1c1cc[nH+]cc1 ZINC000880262547 1015792400 /nfs/dbraw/zinc/79/24/00/1015792400.db2.gz OWCJYXNJHIOSII-HNNXBMFYSA-N 2 2 360.421 2.714 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCN1c1cc[nH+]cc1 ZINC000880262547 1015792410 /nfs/dbraw/zinc/79/24/10/1015792410.db2.gz OWCJYXNJHIOSII-HNNXBMFYSA-N 2 2 360.421 2.714 20 30 FFEDLP CN(C(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C1(C#N)CCCCC1 ZINC000880568905 1015873807 /nfs/dbraw/zinc/87/38/07/1015873807.db2.gz GTITWQJUUQYJOP-IBGZPJMESA-N 2 2 365.481 2.899 20 30 FFEDLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082593501 995011233 /nfs/dbraw/zinc/01/12/33/995011233.db2.gz LZVANDGBUDELTO-KZULUSFZSA-N 2 2 365.462 2.746 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001085000161 998614315 /nfs/dbraw/zinc/61/43/15/998614315.db2.gz SPQQHJYTHFHULV-XLIONFOSSA-N 2 2 350.466 2.985 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001085000161 998614320 /nfs/dbraw/zinc/61/43/20/998614320.db2.gz SPQQHJYTHFHULV-XLIONFOSSA-N 2 2 350.466 2.985 20 30 FFEDLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001169432822 1000049908 /nfs/dbraw/zinc/04/99/08/1000049908.db2.gz PCWSPGQVZAQGAV-QGZVFWFLSA-N 2 2 356.514 2.759 20 30 FFEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001171210990 1000198727 /nfs/dbraw/zinc/19/87/27/1000198727.db2.gz AVNDFWJMKCTWQO-YHYVQYDKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001171210990 1000198728 /nfs/dbraw/zinc/19/87/28/1000198728.db2.gz AVNDFWJMKCTWQO-YHYVQYDKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001171210990 1000198729 /nfs/dbraw/zinc/19/87/29/1000198729.db2.gz AVNDFWJMKCTWQO-YHYVQYDKSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001171210990 1000198730 /nfs/dbraw/zinc/19/87/30/1000198730.db2.gz AVNDFWJMKCTWQO-YHYVQYDKSA-N 2 2 363.509 2.677 20 30 FFEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@]2(C)C1 ZINC001091678909 1001033058 /nfs/dbraw/zinc/03/30/58/1001033058.db2.gz SMFOHKAOYYWXKS-YXTQBTIXSA-N 2 2 368.525 2.510 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@]2(C)C1 ZINC001091678909 1001033067 /nfs/dbraw/zinc/03/30/67/1001033067.db2.gz SMFOHKAOYYWXKS-YXTQBTIXSA-N 2 2 368.525 2.510 20 30 FFEDLP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571905 1001504346 /nfs/dbraw/zinc/50/43/46/1001504346.db2.gz UOICGPSCGMDZOK-LQWHRVPQSA-N 2 2 358.530 2.926 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)C2 ZINC001112586763 1001539607 /nfs/dbraw/zinc/53/96/07/1001539607.db2.gz OPHOMKKUABAOPJ-VWPQPMDRSA-N 2 2 370.541 2.869 20 30 FFEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCc3sccc3C1)C2 ZINC001112584711 1001542586 /nfs/dbraw/zinc/54/25/86/1001542586.db2.gz GBIKRGGTGVAEBR-PXNSSMCTSA-N 2 2 359.539 2.511 20 30 FFEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCc3sccc3C1)C2 ZINC001112584711 1001542593 /nfs/dbraw/zinc/54/25/93/1001542593.db2.gz GBIKRGGTGVAEBR-PXNSSMCTSA-N 2 2 359.539 2.511 20 30 FFEDLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183838403 1002404916 /nfs/dbraw/zinc/40/49/16/1002404916.db2.gz GUMBXPMUGUOVBW-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183838403 1002404923 /nfs/dbraw/zinc/40/49/23/1002404923.db2.gz GUMBXPMUGUOVBW-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183838403 1002404929 /nfs/dbraw/zinc/40/49/29/1002404929.db2.gz GUMBXPMUGUOVBW-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183838403 1002404937 /nfs/dbraw/zinc/40/49/37/1002404937.db2.gz GUMBXPMUGUOVBW-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086589034 1002437392 /nfs/dbraw/zinc/43/73/92/1002437392.db2.gz CUPPKGLYZHCWRV-OQIJWPOYSA-N 2 2 361.917 2.663 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086589034 1002437405 /nfs/dbraw/zinc/43/74/05/1002437405.db2.gz CUPPKGLYZHCWRV-OQIJWPOYSA-N 2 2 361.917 2.663 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589034 1002437412 /nfs/dbraw/zinc/43/74/12/1002437412.db2.gz CUPPKGLYZHCWRV-OQIJWPOYSA-N 2 2 361.917 2.663 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001086589034 1002437420 /nfs/dbraw/zinc/43/74/20/1002437420.db2.gz CUPPKGLYZHCWRV-OQIJWPOYSA-N 2 2 361.917 2.663 20 30 FFEDLP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086597404 1002663340 /nfs/dbraw/zinc/66/33/40/1002663340.db2.gz CTNYOILXHKTCNO-LEWJYISDSA-N 2 2 358.445 2.555 20 30 FFEDLP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086597404 1002663348 /nfs/dbraw/zinc/66/33/48/1002663348.db2.gz CTNYOILXHKTCNO-LEWJYISDSA-N 2 2 358.445 2.555 20 30 FFEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001096887161 1016680412 /nfs/dbraw/zinc/68/04/12/1016680412.db2.gz BELQZPHPZURFOT-ZRNYENFQSA-N 2 2 371.912 2.507 20 30 FFEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001096887161 1016680417 /nfs/dbraw/zinc/68/04/17/1016680417.db2.gz BELQZPHPZURFOT-ZRNYENFQSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001096887161 1016680421 /nfs/dbraw/zinc/68/04/21/1016680421.db2.gz BELQZPHPZURFOT-ZRNYENFQSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001096887161 1016680427 /nfs/dbraw/zinc/68/04/27/1016680427.db2.gz BELQZPHPZURFOT-ZRNYENFQSA-N 2 2 371.912 2.507 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001086609725 1003212018 /nfs/dbraw/zinc/21/20/18/1003212018.db2.gz VCROIXBVRMBCEB-AYOQOUSVSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001086609725 1003212023 /nfs/dbraw/zinc/21/20/23/1003212023.db2.gz VCROIXBVRMBCEB-AYOQOUSVSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609725 1003212027 /nfs/dbraw/zinc/21/20/27/1003212027.db2.gz VCROIXBVRMBCEB-AYOQOUSVSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001086609725 1003212033 /nfs/dbraw/zinc/21/20/33/1003212033.db2.gz VCROIXBVRMBCEB-AYOQOUSVSA-N 2 2 361.917 2.665 20 30 FFEDLP N#Cc1cccn(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1=O ZINC000814223158 1006211806 /nfs/dbraw/zinc/21/18/06/1006211806.db2.gz CLNPTHHNVBRYDL-UHFFFAOYSA-N 2 2 362.477 2.666 20 30 FFEDLP N#Cc1cccn(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1=O ZINC000814223158 1006211815 /nfs/dbraw/zinc/21/18/15/1006211815.db2.gz CLNPTHHNVBRYDL-UHFFFAOYSA-N 2 2 362.477 2.666 20 30 FFEDLP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)CC1 ZINC001050518787 1017037741 /nfs/dbraw/zinc/03/77/41/1017037741.db2.gz JXNAZDMKPUFUMY-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188383598 1006541053 /nfs/dbraw/zinc/54/10/53/1006541053.db2.gz SIGCMFZMVWYFQC-IPMKNSEASA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188383598 1006541064 /nfs/dbraw/zinc/54/10/64/1006541064.db2.gz SIGCMFZMVWYFQC-IPMKNSEASA-N 2 2 358.530 2.949 20 30 FFEDLP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001252483289 1008005750 /nfs/dbraw/zinc/00/57/50/1008005750.db2.gz SBGBWVOJBLLSJJ-GOSISDBHSA-N 2 2 372.431 2.823 20 30 FFEDLP C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)O2)CO1 ZINC000886330623 1008639143 /nfs/dbraw/zinc/63/91/43/1008639143.db2.gz VBPUSMKHQBAERK-WTNAPCKOSA-N 2 2 369.509 2.839 20 30 FFEDLP CCC1([NH+]2CCOCC2)CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000860028363 1008788258 /nfs/dbraw/zinc/78/82/58/1008788258.db2.gz POXYRPVFEDLRBW-UHFFFAOYSA-N 2 2 357.498 2.904 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1O ZINC000866388459 1010986499 /nfs/dbraw/zinc/98/64/99/1010986499.db2.gz JVBGRFMZYQGFLF-BEFAXECRSA-N 2 2 351.450 2.681 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C#N)c1O ZINC000866388459 1010986500 /nfs/dbraw/zinc/98/65/00/1010986500.db2.gz JVBGRFMZYQGFLF-BEFAXECRSA-N 2 2 351.450 2.681 20 30 FFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CC[NH+](CCCOC)CC1)CCO2 ZINC001172252026 1011723218 /nfs/dbraw/zinc/72/32/18/1011723218.db2.gz MEAOFXWACRLXSG-PZJWPPBQSA-N 2 2 366.546 2.561 20 30 FFEDLP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1CC[NH+](CCCOC)CC1)CCO2 ZINC001172252026 1011723224 /nfs/dbraw/zinc/72/32/24/1011723224.db2.gz MEAOFXWACRLXSG-PZJWPPBQSA-N 2 2 366.546 2.561 20 30 FFEDLP CCCCCCC[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275115015 1011958219 /nfs/dbraw/zinc/95/82/19/1011958219.db2.gz RHVYMEYJAWHQEH-FQEVSTJZSA-N 2 2 360.502 2.695 20 30 FFEDLP CCCCCCC[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001275115015 1011958228 /nfs/dbraw/zinc/95/82/28/1011958228.db2.gz RHVYMEYJAWHQEH-FQEVSTJZSA-N 2 2 360.502 2.695 20 30 FFEDLP N#CCC1CCC([NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)CC1 ZINC001173337530 1012454425 /nfs/dbraw/zinc/45/44/25/1012454425.db2.gz NHXNVTSMQWLWKN-UHFFFAOYSA-N 2 2 354.502 2.671 20 30 FFEDLP CC(C)CCNC(=[NH2+])NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000303877748 1012477322 /nfs/dbraw/zinc/47/73/22/1012477322.db2.gz FOXKUZJKDQWHQJ-UHFFFAOYSA-N 2 2 359.562 2.535 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC([NH+]3CCC(n4cc[nH+]c4)CC3)CC2)cc1 ZINC001173432795 1012595366 /nfs/dbraw/zinc/59/53/66/1012595366.db2.gz INNDVCPRHMMAQV-UHFFFAOYSA-N 2 2 363.465 2.696 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001097247686 1017246744 /nfs/dbraw/zinc/24/67/44/1017246744.db2.gz HMGYDOHNBDSZSI-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001097247686 1017246753 /nfs/dbraw/zinc/24/67/53/1017246753.db2.gz HMGYDOHNBDSZSI-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001097247686 1017246759 /nfs/dbraw/zinc/24/67/59/1017246759.db2.gz HMGYDOHNBDSZSI-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001097247686 1017246768 /nfs/dbraw/zinc/24/67/68/1017246768.db2.gz HMGYDOHNBDSZSI-CGXNFDGLSA-N 2 2 357.542 2.776 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001041294586 1018766826 /nfs/dbraw/zinc/76/68/26/1018766826.db2.gz SGHAGUNWTDVTIZ-KNKQGSTJSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001041294586 1018766838 /nfs/dbraw/zinc/76/68/38/1018766838.db2.gz SGHAGUNWTDVTIZ-KNKQGSTJSA-N 2 2 368.525 2.654 20 30 FFEDLP CCOC(=O)[C@@]12C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222141206 1032781760 /nfs/dbraw/zinc/78/17/60/1032781760.db2.gz IDDWEOLWCUZMRX-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP CCOC(=O)[C@@]12C[N@@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222141206 1032781777 /nfs/dbraw/zinc/78/17/77/1032781777.db2.gz IDDWEOLWCUZMRX-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000902279829 1020041611 /nfs/dbraw/zinc/04/16/11/1020041611.db2.gz BASWSRIAXHKEMX-QGZVFWFLSA-N 2 2 374.529 2.670 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CCC#N)cc1 ZINC000932577584 1020838165 /nfs/dbraw/zinc/83/81/65/1020838165.db2.gz NOGMSLJTOCGWHV-UHFFFAOYSA-N 2 2 357.502 2.632 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CCC#N)cc1 ZINC000932577584 1020838170 /nfs/dbraw/zinc/83/81/70/1020838170.db2.gz NOGMSLJTOCGWHV-UHFFFAOYSA-N 2 2 357.502 2.632 20 30 FFEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001098842383 1021225874 /nfs/dbraw/zinc/22/58/74/1021225874.db2.gz CFPLEUYNWKJRRF-MOXWOTFGSA-N 2 2 368.525 2.701 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001098842383 1021225880 /nfs/dbraw/zinc/22/58/80/1021225880.db2.gz CFPLEUYNWKJRRF-MOXWOTFGSA-N 2 2 368.525 2.701 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308662 1024414094 /nfs/dbraw/zinc/41/40/94/1024414094.db2.gz WSHKTIHEGXJLBE-NQIIRXRSSA-N 2 2 358.530 2.879 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@]2(C)C1 ZINC001101308662 1024414104 /nfs/dbraw/zinc/41/41/04/1024414104.db2.gz WSHKTIHEGXJLBE-NQIIRXRSSA-N 2 2 358.530 2.879 20 30 FFEDLP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001101576047 1024890097 /nfs/dbraw/zinc/89/00/97/1024890097.db2.gz SXAHVZISSZYRCG-QZTJIDSGSA-N 2 2 358.530 2.954 20 30 FFEDLP C=C1C[NH2+][C@](C)(C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001160595093 1027768913 /nfs/dbraw/zinc/76/89/13/1027768913.db2.gz CGTZBLOWGQEBPC-QFIPXVFZSA-N 2 2 355.526 2.937 20 30 FFEDLP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160948739 1027937308 /nfs/dbraw/zinc/93/73/08/1027937308.db2.gz OUOHQGXELPIPFP-FRGLQRNOSA-N 2 2 374.488 2.600 20 30 FFEDLP N#Cc1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1F ZINC001205467096 1031767301 /nfs/dbraw/zinc/76/73/01/1031767301.db2.gz ITXYCTOHLOJYBK-UHFFFAOYSA-N 2 2 353.445 2.548 20 30 FFEDLP N#Cc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1F ZINC001205467096 1031767317 /nfs/dbraw/zinc/76/73/17/1031767317.db2.gz ITXYCTOHLOJYBK-UHFFFAOYSA-N 2 2 353.445 2.548 20 30 FFEDLP C=CCc1cccc(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1O ZINC001138626786 1034478212 /nfs/dbraw/zinc/47/82/12/1034478212.db2.gz ONYBDEPYDNHBEN-UHFFFAOYSA-N 2 2 350.422 2.912 20 30 FFEDLP C=CCc1cccc(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1O ZINC001138626786 1034478219 /nfs/dbraw/zinc/47/82/19/1034478219.db2.gz ONYBDEPYDNHBEN-UHFFFAOYSA-N 2 2 350.422 2.912 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001232924162 1036160840 /nfs/dbraw/zinc/16/08/40/1036160840.db2.gz RZAGGRDCKMQYEE-UHFFFAOYSA-N 2 2 368.506 2.882 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(O)c1 ZINC001233383953 1036583216 /nfs/dbraw/zinc/58/32/16/1036583216.db2.gz BLQJFODAFWDHAE-UHFFFAOYSA-N 2 2 367.449 2.724 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(O)c1 ZINC001233383953 1036583224 /nfs/dbraw/zinc/58/32/24/1036583224.db2.gz BLQJFODAFWDHAE-UHFFFAOYSA-N 2 2 367.449 2.724 20 30 FFEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851944 1038556488 /nfs/dbraw/zinc/55/64/88/1038556488.db2.gz OLVYZCOKOVETEL-QFIPXVFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851944 1038556495 /nfs/dbraw/zinc/55/64/95/1038556495.db2.gz OLVYZCOKOVETEL-QFIPXVFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851944 1038556506 /nfs/dbraw/zinc/55/65/06/1038556506.db2.gz OLVYZCOKOVETEL-QFIPXVFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CCCc3cccc(C#N)c3)C2)C1 ZINC001208851944 1038556511 /nfs/dbraw/zinc/55/65/11/1038556511.db2.gz OLVYZCOKOVETEL-QFIPXVFZSA-N 2 2 371.525 2.552 20 30 FFEDLP O=C(CC[NH2+][C@@H]1CCC[NH2+]C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246334906 1039318460 /nfs/dbraw/zinc/31/84/60/1039318460.db2.gz TUZSTEYNAHMJOF-OAQYLSRUSA-N 2 2 359.473 2.665 20 30 FFEDLP CSc1nc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)ccc1C#N ZINC001278843246 1041166294 /nfs/dbraw/zinc/16/62/94/1041166294.db2.gz VMFQGEHGZMEVIS-UXHICEINSA-N 2 2 373.570 2.761 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830292 1042139482 /nfs/dbraw/zinc/13/94/82/1042139482.db2.gz ODAKDZQUXSFQMZ-SOLBZPMBSA-N 2 2 361.555 2.897 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001216830292 1042139484 /nfs/dbraw/zinc/13/94/84/1042139484.db2.gz ODAKDZQUXSFQMZ-SOLBZPMBSA-N 2 2 361.555 2.897 20 30 FFEDLP Cc1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cc(C#N)n(C)c4)(C2)CCC3)[nH]1 ZINC001279604618 1043325953 /nfs/dbraw/zinc/32/59/53/1043325953.db2.gz SGWGXIBVKQNXPT-UXHICEINSA-N 2 2 352.486 2.653 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCC=CO2)C3)cc1C#N ZINC001278138790 1043331483 /nfs/dbraw/zinc/33/14/83/1043331483.db2.gz DPTBLJKZKSTMOT-RTWAWAEBSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@H]2CCC=CO2)C3)cc1C#N ZINC001278138790 1043331490 /nfs/dbraw/zinc/33/14/90/1043331490.db2.gz DPTBLJKZKSTMOT-RTWAWAEBSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@H]2CCC=CO2)C3)cc1C#N ZINC001278138790 1043331497 /nfs/dbraw/zinc/33/14/97/1043331497.db2.gz DPTBLJKZKSTMOT-RTWAWAEBSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C[C@H]2CCC=CO2)C3)cc1C#N ZINC001278138790 1043331503 /nfs/dbraw/zinc/33/15/03/1043331503.db2.gz DPTBLJKZKSTMOT-RTWAWAEBSA-N 2 2 354.498 2.877 20 30 FFEDLP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cc(C#N)n(C)c4)(C2)CCC3)on1 ZINC001280066005 1044158828 /nfs/dbraw/zinc/15/88/28/1044158828.db2.gz XPMODUKFNNNTEX-UXHICEINSA-N 2 2 353.470 2.918 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001316754148 1044904647 /nfs/dbraw/zinc/90/46/47/1044904647.db2.gz JLKANDLFVYKIIH-AQNXPRMDSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001316754148 1044904661 /nfs/dbraw/zinc/90/46/61/1044904661.db2.gz JLKANDLFVYKIIH-AQNXPRMDSA-N 2 2 370.541 2.972 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CC2CCCC2)CC1 ZINC001324420093 1046018215 /nfs/dbraw/zinc/01/82/15/1046018215.db2.gz LTCYIWXRRCLPOO-WOJBJXKFSA-N 2 2 368.525 2.640 20 30 FFEDLP C=C[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC001347045068 1053565672 /nfs/dbraw/zinc/56/56/72/1053565672.db2.gz WICIDKAMKYWTHB-OAQYLSRUSA-N 2 2 355.526 2.975 20 30 FFEDLP C=C[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC001347045068 1053565683 /nfs/dbraw/zinc/56/56/83/1053565683.db2.gz WICIDKAMKYWTHB-OAQYLSRUSA-N 2 2 355.526 2.975 20 30 FFEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848930921 1055390100 /nfs/dbraw/zinc/39/01/00/1055390100.db2.gz YXLUDFLPWGBSPY-OAQYLSRUSA-N 2 2 356.514 2.723 20 30 FFEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848930921 1055390107 /nfs/dbraw/zinc/39/01/07/1055390107.db2.gz YXLUDFLPWGBSPY-OAQYLSRUSA-N 2 2 356.514 2.723 20 30 FFEDLP C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001506938470 1059581234 /nfs/dbraw/zinc/58/12/34/1059581234.db2.gz SBAGPVIICJICAU-IAOVAPTHSA-N 2 2 371.510 2.531 20 30 FFEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001521469311 1060605876 /nfs/dbraw/zinc/60/58/76/1060605876.db2.gz GPKAJGFMWMNDGR-MRXNPFEDSA-N 2 2 366.469 2.945 20 30 FFEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC001560234993 1076253910 /nfs/dbraw/zinc/25/39/10/1076253910.db2.gz WDXWSSIQUBINQR-QZTJIDSGSA-N 2 2 374.529 2.889 20 30 FFEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC001560234993 1076253913 /nfs/dbraw/zinc/25/39/13/1076253913.db2.gz WDXWSSIQUBINQR-QZTJIDSGSA-N 2 2 374.529 2.889 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C)[NH+](C)C ZINC001566103502 1076907618 /nfs/dbraw/zinc/90/76/18/1076907618.db2.gz MQTJGMUDDNNIMS-MNEFBYGVSA-N 2 2 361.917 2.611 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C)[NH+](C)C ZINC001566103502 1076907621 /nfs/dbraw/zinc/90/76/21/1076907621.db2.gz MQTJGMUDDNNIMS-MNEFBYGVSA-N 2 2 361.917 2.611 20 30 FFEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(F)cc(C#N)cc3F)[nH+]c2)C1 ZINC000278675317 256336842 /nfs/dbraw/zinc/33/68/42/256336842.db2.gz GMFQPMYSFJFPNP-HNNXBMFYSA-N 2 2 357.408 2.984 20 30 FFEDLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 ZINC000278312878 256298596 /nfs/dbraw/zinc/29/85/96/256298596.db2.gz TYHBHNZGEFXSGT-HXUWFJFHSA-N 2 2 364.497 2.601 20 30 FFEDLP CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373499902 512363572 /nfs/dbraw/zinc/36/35/72/512363572.db2.gz BGPLLHLPVJMBMC-FPOVZHCZSA-N 2 2 368.525 2.701 20 30 FFEDLP CN(C(=O)C[C@H](CC#N)c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373499902 512363576 /nfs/dbraw/zinc/36/35/76/512363576.db2.gz BGPLLHLPVJMBMC-FPOVZHCZSA-N 2 2 368.525 2.701 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244425 508081529 /nfs/dbraw/zinc/08/15/29/508081529.db2.gz LSASBCPJCXFYDK-ZDUSSCGKSA-N 2 2 369.494 2.969 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480956 508320614 /nfs/dbraw/zinc/32/06/14/508320614.db2.gz GWOTVAMYEMPNJI-SFHVURJKSA-N 2 2 356.514 2.591 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480956 508320616 /nfs/dbraw/zinc/32/06/16/508320616.db2.gz GWOTVAMYEMPNJI-SFHVURJKSA-N 2 2 356.514 2.591 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000104155335 508329720 /nfs/dbraw/zinc/32/97/20/508329720.db2.gz VGQLABLUGBESEV-INIZCTEOSA-N 2 2 360.433 2.872 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123549509 508704068 /nfs/dbraw/zinc/70/40/68/508704068.db2.gz HAFORMUCEGLHEL-DOTOQJQBSA-N 2 2 351.454 2.573 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123549509 508704069 /nfs/dbraw/zinc/70/40/69/508704069.db2.gz HAFORMUCEGLHEL-DOTOQJQBSA-N 2 2 351.454 2.573 20 30 FFEDLP C[NH+](C)CCC(=O)Nc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000124410422 508827282 /nfs/dbraw/zinc/82/72/82/508827282.db2.gz PIEKHNKSPQCYFC-UHFFFAOYSA-N 2 2 362.437 2.708 20 30 FFEDLP C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124543585 508849046 /nfs/dbraw/zinc/84/90/46/508849046.db2.gz BBZMCWKITRPGRD-YZGWKJHDSA-N 2 2 365.562 2.763 20 30 FFEDLP C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124543585 508849051 /nfs/dbraw/zinc/84/90/51/508849051.db2.gz BBZMCWKITRPGRD-YZGWKJHDSA-N 2 2 365.562 2.763 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000150759028 508886806 /nfs/dbraw/zinc/88/68/06/508886806.db2.gz QLDUJXIYFBLWTK-HXUWFJFHSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000150759028 508886810 /nfs/dbraw/zinc/88/68/10/508886810.db2.gz QLDUJXIYFBLWTK-HXUWFJFHSA-N 2 2 368.525 2.968 20 30 FFEDLP CC[NH+]=C(NCCc1ccncc1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160018657 508926717 /nfs/dbraw/zinc/92/67/17/508926717.db2.gz VMZMUVYEFAJYAX-VQIMIIECSA-N 2 2 354.502 2.678 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCCCc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000264067219 509313910 /nfs/dbraw/zinc/31/39/10/509313910.db2.gz BTKDTWVTPQYMOY-UHFFFAOYSA-N 2 2 353.426 2.940 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000177057417 509844450 /nfs/dbraw/zinc/84/44/50/509844450.db2.gz OVEATFLOTYHXGH-MOPGFXCFSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000177057417 509844462 /nfs/dbraw/zinc/84/44/62/509844462.db2.gz OVEATFLOTYHXGH-MOPGFXCFSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000177057417 509844468 /nfs/dbraw/zinc/84/44/68/509844468.db2.gz OVEATFLOTYHXGH-MOPGFXCFSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000177057417 509844478 /nfs/dbraw/zinc/84/44/78/509844478.db2.gz OVEATFLOTYHXGH-MOPGFXCFSA-N 2 2 356.514 2.965 20 30 FFEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245438772 509934260 /nfs/dbraw/zinc/93/42/60/509934260.db2.gz FMZHSJKXYUJGMA-SJORKVTESA-N 2 2 360.477 2.734 20 30 FFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245438772 509934262 /nfs/dbraw/zinc/93/42/62/509934262.db2.gz FMZHSJKXYUJGMA-SJORKVTESA-N 2 2 360.477 2.734 20 30 FFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245438772 509934264 /nfs/dbraw/zinc/93/42/64/509934264.db2.gz FMZHSJKXYUJGMA-SJORKVTESA-N 2 2 360.477 2.734 20 30 FFEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245438772 509934265 /nfs/dbraw/zinc/93/42/65/509934265.db2.gz FMZHSJKXYUJGMA-SJORKVTESA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245606377 510034587 /nfs/dbraw/zinc/03/45/87/510034587.db2.gz NHLPPVCPTJANAW-FVQBIDKESA-N 2 2 355.467 2.505 20 30 FFEDLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245606377 510034593 /nfs/dbraw/zinc/03/45/93/510034593.db2.gz NHLPPVCPTJANAW-FVQBIDKESA-N 2 2 355.467 2.505 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)c3cccc(F)c3)CC2)cc1 ZINC000181589258 510487982 /nfs/dbraw/zinc/48/79/82/510487982.db2.gz ZDDDMWPAEAGMDK-NRFANRHFSA-N 2 2 353.441 2.985 20 30 FFEDLP Cc1nc2sccn2c1C[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000329987584 510894886 /nfs/dbraw/zinc/89/48/86/510894886.db2.gz GISHBAQMGVVFQE-UHFFFAOYSA-N 2 2 363.531 2.965 20 30 FFEDLP Cc1nc2sccn2c1C[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000329987584 510894892 /nfs/dbraw/zinc/89/48/92/510894892.db2.gz GISHBAQMGVVFQE-UHFFFAOYSA-N 2 2 363.531 2.965 20 30 FFEDLP CCOc1cccnc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000330091702 510914111 /nfs/dbraw/zinc/91/41/11/510914111.db2.gz XZKZDLCDKIQCDO-UHFFFAOYSA-N 2 2 360.502 2.735 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277186239 510955395 /nfs/dbraw/zinc/95/53/95/510955395.db2.gz LONNBFKSUJTQBL-FUHWJXTLSA-N 2 2 360.477 2.877 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277186239 510955401 /nfs/dbraw/zinc/95/54/01/510955401.db2.gz LONNBFKSUJTQBL-FUHWJXTLSA-N 2 2 360.477 2.877 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282621131 511048450 /nfs/dbraw/zinc/04/84/50/511048450.db2.gz ZVBAQURKFGKKMW-IBGZPJMESA-N 2 2 356.514 2.639 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282621131 511048456 /nfs/dbraw/zinc/04/84/56/511048456.db2.gz ZVBAQURKFGKKMW-IBGZPJMESA-N 2 2 356.514 2.639 20 30 FFEDLP Cc1nc(CC(N)=[NH+]OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000283452443 511372259 /nfs/dbraw/zinc/37/22/59/511372259.db2.gz FDEDNXUCQXRBFE-GOSISDBHSA-N 2 2 374.510 2.574 20 30 FFEDLP Cc1nc(CC(N)=[NH+]OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000283452443 511372261 /nfs/dbraw/zinc/37/22/61/511372261.db2.gz FDEDNXUCQXRBFE-GOSISDBHSA-N 2 2 374.510 2.574 20 30 FFEDLP Cc1ncc(CO)c(/C=[NH+]/CC2CC[NH+](Cc3cccs3)CC2)c1O ZINC000299392448 511618949 /nfs/dbraw/zinc/61/89/49/511618949.db2.gz MZJZNRNWJMEJDH-RGVLZGJSSA-N 2 2 359.495 2.981 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000328602911 511890497 /nfs/dbraw/zinc/89/04/97/511890497.db2.gz HIPMSQMGPJLPBT-SJLPKXTDSA-N 2 2 359.518 2.921 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000328602911 511890501 /nfs/dbraw/zinc/89/05/01/511890501.db2.gz HIPMSQMGPJLPBT-SJLPKXTDSA-N 2 2 359.518 2.921 20 30 FFEDLP C[N@H+](CC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@H]1CCSC1 ZINC000328940132 511953852 /nfs/dbraw/zinc/95/38/52/511953852.db2.gz HLRMNBNADWGWMV-KGLIPLIRSA-N 2 2 350.532 2.889 20 30 FFEDLP C[N@@H+](CC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@H]1CCSC1 ZINC000328940132 511953861 /nfs/dbraw/zinc/95/38/61/511953861.db2.gz HLRMNBNADWGWMV-KGLIPLIRSA-N 2 2 350.532 2.889 20 30 FFEDLP CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@@H]1C ZINC000329060352 511975699 /nfs/dbraw/zinc/97/56/99/511975699.db2.gz UNKWWSNCERSEEU-HRCADAONSA-N 2 2 361.534 2.824 20 30 FFEDLP CC[N@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@@H]1C ZINC000329060352 511975708 /nfs/dbraw/zinc/97/57/08/511975708.db2.gz UNKWWSNCERSEEU-HRCADAONSA-N 2 2 361.534 2.824 20 30 FFEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)n2)C1 ZINC000329120781 511987186 /nfs/dbraw/zinc/98/71/86/511987186.db2.gz QBURDWGWOOKPBN-ILXRZTDVSA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)n2)C1 ZINC000329120781 511987189 /nfs/dbraw/zinc/98/71/89/511987189.db2.gz QBURDWGWOOKPBN-ILXRZTDVSA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+](C)[C@@H](C)[C@@H]3C)n2)C1 ZINC000329120781 511987191 /nfs/dbraw/zinc/98/71/91/511987191.db2.gz QBURDWGWOOKPBN-ILXRZTDVSA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)n2)C1 ZINC000329120781 511987193 /nfs/dbraw/zinc/98/71/93/511987193.db2.gz QBURDWGWOOKPBN-ILXRZTDVSA-N 2 2 365.547 2.945 20 30 FFEDLP N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281948311 512021632 /nfs/dbraw/zinc/02/16/32/512021632.db2.gz FKCSQKMNAIOSOA-OAHLLOKOSA-N 2 2 369.494 2.971 20 30 FFEDLP N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281948311 512021637 /nfs/dbraw/zinc/02/16/37/512021637.db2.gz FKCSQKMNAIOSOA-OAHLLOKOSA-N 2 2 369.494 2.971 20 30 FFEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C#N)c(C)c3)C2)CC1 ZINC000449491815 514226907 /nfs/dbraw/zinc/22/69/07/514226907.db2.gz AOBJFTSOHCTNRL-OAQYLSRUSA-N 2 2 368.525 2.633 20 30 FFEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C#N)c(C)c3)C2)CC1 ZINC000449491815 514226914 /nfs/dbraw/zinc/22/69/14/514226914.db2.gz AOBJFTSOHCTNRL-OAQYLSRUSA-N 2 2 368.525 2.633 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C#N)c(C)c3)C2)CC1 ZINC000449491815 514226917 /nfs/dbraw/zinc/22/69/17/514226917.db2.gz AOBJFTSOHCTNRL-OAQYLSRUSA-N 2 2 368.525 2.633 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)CC1 ZINC000449491815 514226922 /nfs/dbraw/zinc/22/69/22/514226922.db2.gz AOBJFTSOHCTNRL-OAQYLSRUSA-N 2 2 368.525 2.633 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cn4ccccc4c3C#N)CC2)CC1 ZINC000420976340 514414285 /nfs/dbraw/zinc/41/42/85/514414285.db2.gz GVLQTUMATMLEDI-UHFFFAOYSA-N 2 2 365.525 2.803 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cn4ccccc4c3C#N)CC2)CC1 ZINC000420976340 514414293 /nfs/dbraw/zinc/41/42/93/514414293.db2.gz GVLQTUMATMLEDI-UHFFFAOYSA-N 2 2 365.525 2.803 20 30 FFEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cn4ccccc4c3C#N)CC2)CC1 ZINC000420976340 514414301 /nfs/dbraw/zinc/41/43/01/514414301.db2.gz GVLQTUMATMLEDI-UHFFFAOYSA-N 2 2 365.525 2.803 20 30 FFEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cn4ccccc4c3C#N)CC2)CC1 ZINC000420976340 514414306 /nfs/dbraw/zinc/41/43/06/514414306.db2.gz GVLQTUMATMLEDI-UHFFFAOYSA-N 2 2 365.525 2.803 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nn1 ZINC000424296457 514448366 /nfs/dbraw/zinc/44/83/66/514448366.db2.gz OOWRBIZCXHAPAX-NJYVYQBISA-N 2 2 351.498 2.997 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nn1 ZINC000424296457 514448370 /nfs/dbraw/zinc/44/83/70/514448370.db2.gz OOWRBIZCXHAPAX-NJYVYQBISA-N 2 2 351.498 2.997 20 30 FFEDLP C=CCn1c(CC(C)C)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000508912252 514953894 /nfs/dbraw/zinc/95/38/94/514953894.db2.gz KXIAXVYSDFHKMM-UHFFFAOYSA-N 2 2 374.577 2.657 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481199145 515243994 /nfs/dbraw/zinc/24/39/94/515243994.db2.gz OTTHUBHXEIDREB-BAYUQKDNSA-N 2 2 370.541 2.930 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481199145 515244002 /nfs/dbraw/zinc/24/40/02/515244002.db2.gz OTTHUBHXEIDREB-BAYUQKDNSA-N 2 2 370.541 2.930 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472501060 515294111 /nfs/dbraw/zinc/29/41/11/515294111.db2.gz MQHRGUBQXOIGJH-YTQCASCJSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472501060 515294122 /nfs/dbraw/zinc/29/41/22/515294122.db2.gz MQHRGUBQXOIGJH-YTQCASCJSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472501060 515294131 /nfs/dbraw/zinc/29/41/31/515294131.db2.gz MQHRGUBQXOIGJH-YTQCASCJSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472501060 515294141 /nfs/dbraw/zinc/29/41/41/515294141.db2.gz MQHRGUBQXOIGJH-YTQCASCJSA-N 2 2 374.573 2.969 20 30 FFEDLP C=C(CC)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000459090591 515315485 /nfs/dbraw/zinc/31/54/85/515315485.db2.gz ZWGUZPKGOHPWNJ-RBUKOAKNSA-N 2 2 350.551 2.931 20 30 FFEDLP C=C(CC)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459090591 515315496 /nfs/dbraw/zinc/31/54/96/515315496.db2.gz ZWGUZPKGOHPWNJ-RBUKOAKNSA-N 2 2 350.551 2.931 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000534612426 517965512 /nfs/dbraw/zinc/96/55/12/517965512.db2.gz OOWFNGVXDIVWDG-FQEVSTJZSA-N 2 2 367.493 2.680 20 30 FFEDLP Cc1csc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C#N ZINC000584299318 518272601 /nfs/dbraw/zinc/27/26/01/518272601.db2.gz GGQMOEDFRDWZDE-XYPWUTKMSA-N 2 2 373.526 2.703 20 30 FFEDLP Cc1csc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C#N ZINC000584299318 518272603 /nfs/dbraw/zinc/27/26/03/518272603.db2.gz GGQMOEDFRDWZDE-XYPWUTKMSA-N 2 2 373.526 2.703 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472685 518358178 /nfs/dbraw/zinc/35/81/78/518358178.db2.gz AOWZJYJAZPFMOT-IAGOWNOFSA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472685 518358184 /nfs/dbraw/zinc/35/81/84/518358184.db2.gz AOWZJYJAZPFMOT-IAGOWNOFSA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472685 518358188 /nfs/dbraw/zinc/35/81/88/518358188.db2.gz AOWZJYJAZPFMOT-IAGOWNOFSA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472685 518358194 /nfs/dbraw/zinc/35/81/94/518358194.db2.gz AOWZJYJAZPFMOT-IAGOWNOFSA-N 2 2 374.554 2.761 20 30 FFEDLP COc1cc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)ccc1C#N ZINC000572822711 518376354 /nfs/dbraw/zinc/37/63/54/518376354.db2.gz SFCYQFKGRZWITK-GOSISDBHSA-N 2 2 364.449 2.684 20 30 FFEDLP Cc1c[nH+]c2cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccn12 ZINC000573217442 518561880 /nfs/dbraw/zinc/56/18/80/518561880.db2.gz FXOBZRBBGKVQFE-UHFFFAOYSA-N 2 2 373.460 2.863 20 30 FFEDLP Cc1c[nH+]c2cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)ccn12 ZINC000573217442 518561886 /nfs/dbraw/zinc/56/18/86/518561886.db2.gz FXOBZRBBGKVQFE-UHFFFAOYSA-N 2 2 373.460 2.863 20 30 FFEDLP CSC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH+](C)CC1 ZINC000582234151 518652003 /nfs/dbraw/zinc/65/20/03/518652003.db2.gz VAFPTYKOVMKBGY-UHFFFAOYSA-N 3 2 372.582 2.940 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000571910585 519343211 /nfs/dbraw/zinc/34/32/11/519343211.db2.gz LTBPJTOSMNHDHP-SCWSEQNSSA-N 2 2 353.466 2.579 20 30 FFEDLP CC1CC[NH+](CCc2cccc(NC[C@@H](O)C[N@H+](C)CCC#N)c2)CC1 ZINC000591774313 520033895 /nfs/dbraw/zinc/03/38/95/520033895.db2.gz PIYSXTMWIKVWFK-OAQYLSRUSA-N 2 2 358.530 2.579 20 30 FFEDLP CC1CC[NH+](CCc2cccc(NC[C@@H](O)C[N@@H+](C)CCC#N)c2)CC1 ZINC000591774313 520033905 /nfs/dbraw/zinc/03/39/05/520033905.db2.gz PIYSXTMWIKVWFK-OAQYLSRUSA-N 2 2 358.530 2.579 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Nc2cc(F)cc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000603078019 520066434 /nfs/dbraw/zinc/06/64/34/520066434.db2.gz KLNJCSDDWJNAFB-UHFFFAOYSA-N 2 2 373.476 2.769 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC3(C#N)CCCCC3)CC2)CC1 ZINC000597791230 520239540 /nfs/dbraw/zinc/23/95/40/520239540.db2.gz UCIRBFBTUDJLHM-UHFFFAOYSA-N 2 2 360.546 2.869 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC3(C#N)CCCCC3)CC2)CC1 ZINC000597791230 520239545 /nfs/dbraw/zinc/23/95/45/520239545.db2.gz UCIRBFBTUDJLHM-UHFFFAOYSA-N 2 2 360.546 2.869 20 30 FFEDLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000600717950 520418597 /nfs/dbraw/zinc/41/85/97/520418597.db2.gz ORHLZWRUDKPKFK-UXHICEINSA-N 2 2 359.514 2.730 20 30 FFEDLP N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000595620823 520599954 /nfs/dbraw/zinc/59/99/54/520599954.db2.gz RFIOQCOZSSTARM-QGZVFWFLSA-N 2 2 372.538 2.800 20 30 FFEDLP N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000595620823 520599967 /nfs/dbraw/zinc/59/99/67/520599967.db2.gz RFIOQCOZSSTARM-QGZVFWFLSA-N 2 2 372.538 2.800 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610944872 520912994 /nfs/dbraw/zinc/91/29/94/520912994.db2.gz GDJVXUNVLKPDBI-KGLIPLIRSA-N 2 2 369.494 2.969 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610944872 520913002 /nfs/dbraw/zinc/91/30/02/520913002.db2.gz GDJVXUNVLKPDBI-KGLIPLIRSA-N 2 2 369.494 2.969 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000593693166 521160980 /nfs/dbraw/zinc/16/09/80/521160980.db2.gz RIUQIAMUTLNYBO-UHFFFAOYSA-N 2 2 370.460 2.832 20 30 FFEDLP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[C@@H]21 ZINC000593724251 521176888 /nfs/dbraw/zinc/17/68/88/521176888.db2.gz BMUXBGPAEMBBPP-FKBYEOEOSA-N 3 2 352.526 2.985 20 30 FFEDLP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCC[C@@H]21 ZINC000593724251 521176901 /nfs/dbraw/zinc/17/69/01/521176901.db2.gz BMUXBGPAEMBBPP-FKBYEOEOSA-N 3 2 352.526 2.985 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000730270870 734624415 /nfs/dbraw/zinc/62/44/15/734624415.db2.gz IGEOMKRUMSIDDB-OALUTQOASA-N 2 2 359.901 2.691 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000730270870 734624418 /nfs/dbraw/zinc/62/44/18/734624418.db2.gz IGEOMKRUMSIDDB-OALUTQOASA-N 2 2 359.901 2.691 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948781781 740353707 /nfs/dbraw/zinc/35/37/07/740353707.db2.gz AIFASVCNPQIWFX-ARFHVFGLSA-N 2 2 350.894 2.589 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948781781 740353710 /nfs/dbraw/zinc/35/37/10/740353710.db2.gz AIFASVCNPQIWFX-ARFHVFGLSA-N 2 2 350.894 2.589 20 30 FFEDLP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001040856280 743038057 /nfs/dbraw/zinc/03/80/57/743038057.db2.gz RIQRRBAIESWSCO-HZPDHXFCSA-N 2 2 362.905 2.591 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC001087972970 971414775 /nfs/dbraw/zinc/41/47/75/971414775.db2.gz DMPPEUACURTOKH-MSOLQXFVSA-N 2 2 356.514 2.508 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC001087972970 971414778 /nfs/dbraw/zinc/41/47/78/971414778.db2.gz DMPPEUACURTOKH-MSOLQXFVSA-N 2 2 356.514 2.508 20 30 FFEDLP [NH2+]=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCCCCC1 ZINC000305080007 1013079501 /nfs/dbraw/zinc/07/95/01/1013079501.db2.gz RVXZRMRPXGZJQA-UHFFFAOYSA-N 2 2 371.573 2.775 20 30 FFEDLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000328660978 960586414 /nfs/dbraw/zinc/58/64/14/960586414.db2.gz WIHTUGXNXMLZPH-UHFFFAOYSA-N 2 2 359.518 2.626 20 30 FFEDLP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001269621414 964231136 /nfs/dbraw/zinc/23/11/36/964231136.db2.gz AKMWVXXMTNYDHP-IAGOWNOFSA-N 2 2 362.905 2.969 20 30 FFEDLP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001269621414 964231144 /nfs/dbraw/zinc/23/11/44/964231144.db2.gz AKMWVXXMTNYDHP-IAGOWNOFSA-N 2 2 362.905 2.969 20 30 FFEDLP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001269621414 964231152 /nfs/dbraw/zinc/23/11/52/964231152.db2.gz AKMWVXXMTNYDHP-IAGOWNOFSA-N 2 2 362.905 2.969 20 30 FFEDLP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001269621414 964231156 /nfs/dbraw/zinc/23/11/56/964231156.db2.gz AKMWVXXMTNYDHP-IAGOWNOFSA-N 2 2 362.905 2.969 20 30 FFEDLP CC[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261956150 964996008 /nfs/dbraw/zinc/99/60/08/964996008.db2.gz IUKADZQGRMZLHF-ROUUACIJSA-N 3 2 360.550 2.606 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001087173579 965067836 /nfs/dbraw/zinc/06/78/36/965067836.db2.gz GSYLDFGTGYTSTI-ZBFHGGJFSA-N 2 2 371.510 2.692 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001087173579 965067849 /nfs/dbraw/zinc/06/78/49/965067849.db2.gz GSYLDFGTGYTSTI-ZBFHGGJFSA-N 2 2 371.510 2.692 20 30 FFEDLP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262476024 973461905 /nfs/dbraw/zinc/46/19/05/973461905.db2.gz ZTFSGHSPKUSVMZ-UYAOXDASSA-N 2 2 363.509 2.847 20 30 FFEDLP C=CCC1([NH2+]CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000661851870 974869048 /nfs/dbraw/zinc/86/90/48/974869048.db2.gz WZTLVXIPZITATP-UHFFFAOYSA-N 2 2 371.525 2.614 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211697221 976279976 /nfs/dbraw/zinc/27/99/76/976279976.db2.gz XYPVVQIRVFWZRP-NZSAHSFTSA-N 2 2 352.482 2.891 20 30 FFEDLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000898481456 976489331 /nfs/dbraw/zinc/48/93/31/976489331.db2.gz RKEUAKFVINPDJO-QUCCMNQESA-N 2 2 355.482 2.844 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990739666 976759416 /nfs/dbraw/zinc/75/94/16/976759416.db2.gz JKCXOHANENWZHD-IWQHBPENSA-N 2 2 368.525 2.843 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990739666 976759426 /nfs/dbraw/zinc/75/94/26/976759426.db2.gz JKCXOHANENWZHD-IWQHBPENSA-N 2 2 368.525 2.843 20 30 FFEDLP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159968640 979492907 /nfs/dbraw/zinc/49/29/07/979492907.db2.gz RYMIHKAIEIANNB-FKSLSLAPSA-N 2 2 371.529 2.689 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001107454930 984560329 /nfs/dbraw/zinc/56/03/29/984560329.db2.gz QXPZRHLSNBHSOI-FBBABVLZSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001107454930 984560331 /nfs/dbraw/zinc/56/03/31/984560331.db2.gz QXPZRHLSNBHSOI-FBBABVLZSA-N 2 2 356.514 2.773 20 30 FFEDLP C#CCN(C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CC[NH+](C)CC1 ZINC000920875815 990929102 /nfs/dbraw/zinc/92/91/02/990929102.db2.gz RWWGSHXCZVGRNR-KRWDZBQOSA-N 2 2 365.481 2.672 20 30 FFEDLP C[NH+]1CCN(C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000879592859 1015600837 /nfs/dbraw/zinc/60/08/37/1015600837.db2.gz QUAUNBDKDAUHSF-UHFFFAOYSA-N 2 2 365.443 2.769 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1 ZINC001081151572 993702617 /nfs/dbraw/zinc/70/26/17/993702617.db2.gz NAGUOQQTGHFDJY-RBUKOAKNSA-N 2 2 352.482 2.513 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC000824115005 996804727 /nfs/dbraw/zinc/80/47/27/996804727.db2.gz FTLFPGIZKYNXCU-UHFFFAOYSA-N 2 2 359.433 2.829 20 30 FFEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741257574 999717076 /nfs/dbraw/zinc/71/70/76/999717076.db2.gz FNOPVVPNMOESBL-AVRDEDQJSA-N 2 2 365.477 2.704 20 30 FFEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000741257574 999717079 /nfs/dbraw/zinc/71/70/79/999717079.db2.gz FNOPVVPNMOESBL-AVRDEDQJSA-N 2 2 365.477 2.704 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001091799866 1001848957 /nfs/dbraw/zinc/84/89/57/1001848957.db2.gz GZLSKIHCOJUUJB-FVJLSDCUSA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001091799866 1001848970 /nfs/dbraw/zinc/84/89/70/1001848970.db2.gz GZLSKIHCOJUUJB-FVJLSDCUSA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@]2(C)C1 ZINC001091799866 1001848986 /nfs/dbraw/zinc/84/89/86/1001848986.db2.gz GZLSKIHCOJUUJB-FVJLSDCUSA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@]2(C)C1 ZINC001091799866 1001848998 /nfs/dbraw/zinc/84/89/98/1001848998.db2.gz GZLSKIHCOJUUJB-FVJLSDCUSA-N 2 2 356.514 2.570 20 30 FFEDLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183835352 1002405122 /nfs/dbraw/zinc/40/51/22/1002405122.db2.gz KYOKYFDXCGMAQP-LEWJYISDSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183835352 1002405132 /nfs/dbraw/zinc/40/51/32/1002405132.db2.gz KYOKYFDXCGMAQP-LEWJYISDSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183835352 1002405142 /nfs/dbraw/zinc/40/51/42/1002405142.db2.gz KYOKYFDXCGMAQP-LEWJYISDSA-N 2 2 368.525 2.854 20 30 FFEDLP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183835352 1002405147 /nfs/dbraw/zinc/40/51/47/1002405147.db2.gz KYOKYFDXCGMAQP-LEWJYISDSA-N 2 2 368.525 2.854 20 30 FFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(C#N)cc2O)cc1 ZINC001198030596 1004464590 /nfs/dbraw/zinc/46/45/90/1004464590.db2.gz MBSICPODIGMOOG-UHFFFAOYSA-N 2 2 366.465 2.900 20 30 FFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(C#N)cc2O)cc1 ZINC001198030596 1004464597 /nfs/dbraw/zinc/46/45/97/1004464597.db2.gz MBSICPODIGMOOG-UHFFFAOYSA-N 2 2 366.465 2.900 20 30 FFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N[C@H]2CC[C@H](C#N)CC2)cc1 ZINC001198031396 1004465264 /nfs/dbraw/zinc/46/52/64/1004465264.db2.gz UAIZGALCKITLIO-IRJFHVNHSA-N 2 2 356.514 2.882 20 30 FFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N[C@H]2CC[C@H](C#N)CC2)cc1 ZINC001198031396 1004465268 /nfs/dbraw/zinc/46/52/68/1004465268.db2.gz UAIZGALCKITLIO-IRJFHVNHSA-N 2 2 356.514 2.882 20 30 FFEDLP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001489069380 1005403821 /nfs/dbraw/zinc/40/38/21/1005403821.db2.gz QVYLDDMCXISOOH-YLJYHZDGSA-N 2 2 366.509 2.815 20 30 FFEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001170841660 1007183319 /nfs/dbraw/zinc/18/33/19/1007183319.db2.gz KDSMTBBTYXLORF-CEXWTWQISA-N 2 2 358.530 2.995 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001110730664 1008208775 /nfs/dbraw/zinc/20/87/75/1008208775.db2.gz BHXIUQDEROQMNO-CUDHKJQZSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001110730664 1008208777 /nfs/dbraw/zinc/20/87/77/1008208777.db2.gz BHXIUQDEROQMNO-CUDHKJQZSA-N 2 2 356.514 2.913 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)Cc3ccc(F)cc3)CC2)cc1 ZINC000886239302 1008607983 /nfs/dbraw/zinc/60/79/83/1008607983.db2.gz TZRPMZRVCUQYJQ-JOCHJYFZSA-N 2 2 367.468 2.855 20 30 FFEDLP Cc1[nH]c(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)[nH+]c1C ZINC000886664235 1008803336 /nfs/dbraw/zinc/80/33/36/1008803336.db2.gz GUPIUUPVLCLQED-IBGZPJMESA-N 2 2 363.465 2.883 20 30 FFEDLP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001178743386 1009112477 /nfs/dbraw/zinc/11/24/77/1009112477.db2.gz BBGRXFNIVAPWQI-IAGOWNOFSA-N 2 2 371.510 2.913 20 30 FFEDLP N#Cc1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC001178743386 1009112485 /nfs/dbraw/zinc/11/24/85/1009112485.db2.gz BBGRXFNIVAPWQI-IAGOWNOFSA-N 2 2 371.510 2.913 20 30 FFEDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172972688 1012141355 /nfs/dbraw/zinc/14/13/55/1012141355.db2.gz BGKHEGHXBCPMIJ-ULQDDVLXSA-N 2 2 350.507 2.598 20 30 FFEDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172972688 1012141368 /nfs/dbraw/zinc/14/13/68/1012141368.db2.gz BGKHEGHXBCPMIJ-ULQDDVLXSA-N 2 2 350.507 2.598 20 30 FFEDLP COc1cccc(NC(=[NH2+])NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000303906088 1012515499 /nfs/dbraw/zinc/51/54/99/1012515499.db2.gz VWXIEZQRAUORHG-QGZVFWFLSA-N 2 2 367.497 2.633 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001173432568 1012594297 /nfs/dbraw/zinc/59/42/97/1012594297.db2.gz DVJIRCGOVSZCNR-SFHVURJKSA-N 2 2 363.465 2.699 20 30 FFEDLP CC1(C#N)CCC([NH2+]C2(C(N)=O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173590483 1012761239 /nfs/dbraw/zinc/76/12/39/1012761239.db2.gz KLQHNIYFQSMBRU-UHFFFAOYSA-N 2 2 354.498 2.569 20 30 FFEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001098462801 1020931904 /nfs/dbraw/zinc/93/19/04/1020931904.db2.gz OFEHBARMLBDKCE-MXEMCNAFSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001098462801 1020931910 /nfs/dbraw/zinc/93/19/10/1020931910.db2.gz OFEHBARMLBDKCE-MXEMCNAFSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001098462801 1020931914 /nfs/dbraw/zinc/93/19/14/1020931914.db2.gz OFEHBARMLBDKCE-MXEMCNAFSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001098462801 1020931918 /nfs/dbraw/zinc/93/19/18/1020931918.db2.gz OFEHBARMLBDKCE-MXEMCNAFSA-N 2 2 366.509 2.654 20 30 FFEDLP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001040211175 1022804886 /nfs/dbraw/zinc/80/48/86/1022804886.db2.gz XOYNKUBKFHDHRX-WOIUINJBSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001040211175 1022804902 /nfs/dbraw/zinc/80/49/02/1022804902.db2.gz XOYNKUBKFHDHRX-WOIUINJBSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001122397717 1023242554 /nfs/dbraw/zinc/24/25/54/1023242554.db2.gz GZMCVEFPPOFKLV-UHFFFAOYSA-N 2 2 358.534 2.515 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001222724883 1033129674 /nfs/dbraw/zinc/12/96/74/1033129674.db2.gz IMGQMUFKWNFKQJ-MJGOQNOKSA-N 2 2 356.514 2.651 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC001222724883 1033129680 /nfs/dbraw/zinc/12/96/80/1033129680.db2.gz IMGQMUFKWNFKQJ-MJGOQNOKSA-N 2 2 356.514 2.651 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc2cc(OC)c(OC)cc2c[nH+]1 ZINC001159924828 1027537316 /nfs/dbraw/zinc/53/73/16/1027537316.db2.gz YJUKGWYFRMPPJI-INIZCTEOSA-N 2 2 373.453 2.891 20 30 FFEDLP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001164566948 1029322640 /nfs/dbraw/zinc/32/26/40/1029322640.db2.gz VVVUDSYQKVCVDY-QZTJIDSGSA-N 2 2 356.514 2.606 20 30 FFEDLP N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258853 1029775009 /nfs/dbraw/zinc/77/50/09/1029775009.db2.gz KCZRGSRFHUFZKA-GOSISDBHSA-N 2 2 365.456 2.761 20 30 FFEDLP N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258853 1029775014 /nfs/dbraw/zinc/77/50/14/1029775014.db2.gz KCZRGSRFHUFZKA-GOSISDBHSA-N 2 2 365.456 2.761 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001112439781 1030813146 /nfs/dbraw/zinc/81/31/46/1030813146.db2.gz HQTLTDWKBHLNDF-WFXMLNOXSA-N 2 2 356.514 2.630 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC001205312962 1031664599 /nfs/dbraw/zinc/66/45/99/1031664599.db2.gz KUHVFGYXNXIAKO-RBUKOAKNSA-N 2 2 356.445 2.642 20 30 FFEDLP COc1ccc(CN[NH+]=Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001115862722 1031990297 /nfs/dbraw/zinc/99/02/97/1031990297.db2.gz FGTPUEHBGZYVPV-UHFFFAOYSA-N 2 2 356.445 2.710 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](CC)c3ccc(F)cc3)CC2)CC1 ZINC000831872406 1034366417 /nfs/dbraw/zinc/36/64/17/1034366417.db2.gz DRBHLYLVKPPJCL-NRFANRHFSA-N 2 2 371.500 2.766 20 30 FFEDLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001139528232 1035147773 /nfs/dbraw/zinc/14/77/73/1035147773.db2.gz OZNHYYDTDWKLNO-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001139528232 1035147778 /nfs/dbraw/zinc/14/77/78/1035147778.db2.gz OZNHYYDTDWKLNO-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001139528232 1035147781 /nfs/dbraw/zinc/14/77/81/1035147781.db2.gz OZNHYYDTDWKLNO-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001139528232 1035147784 /nfs/dbraw/zinc/14/77/84/1035147784.db2.gz OZNHYYDTDWKLNO-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP N#Cc1ccc(F)c(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001139649038 1035189360 /nfs/dbraw/zinc/18/93/60/1035189360.db2.gz KQOCDSBUARZAPG-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP N#Cc1ccc(F)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001139649038 1035189364 /nfs/dbraw/zinc/18/93/64/1035189364.db2.gz KQOCDSBUARZAPG-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001228854527 1036364621 /nfs/dbraw/zinc/36/46/21/1036364621.db2.gz ZYQWQLPKKUQMFV-PWIZWCRZSA-N 2 2 365.481 2.923 20 30 FFEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001229037706 1036466999 /nfs/dbraw/zinc/46/69/99/1036466999.db2.gz NRRHTDASASYZGZ-IOMROCGXSA-N 2 2 364.493 2.657 20 30 FFEDLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(C#N)cc2O)CC3)cn1 ZINC001233385083 1036586526 /nfs/dbraw/zinc/58/65/26/1036586526.db2.gz UFKDPHHSOMPRDY-UHFFFAOYSA-N 2 2 365.481 2.628 20 30 FFEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001277889182 1037173929 /nfs/dbraw/zinc/17/39/29/1037173929.db2.gz HNBNUWXYMGZACO-RTBURBONSA-N 2 2 368.868 2.724 20 30 FFEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001277889182 1037173936 /nfs/dbraw/zinc/17/39/36/1037173936.db2.gz HNBNUWXYMGZACO-RTBURBONSA-N 2 2 368.868 2.724 20 30 FFEDLP C=CCCCCC[NH+]1CCC([NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC001209433198 1038860315 /nfs/dbraw/zinc/86/03/15/1038860315.db2.gz RLSNMURQWLVNSC-UHFFFAOYSA-N 3 2 362.606 2.909 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(OC)cc2OCC)CC1 ZINC001250064399 1041108408 /nfs/dbraw/zinc/10/84/08/1041108408.db2.gz DLSJVUKVLQRHPQ-UHFFFAOYSA-N 2 2 373.541 2.886 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001263301012 1042229181 /nfs/dbraw/zinc/22/91/81/1042229181.db2.gz GITZGKUTRQOAPT-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001263301012 1042229186 /nfs/dbraw/zinc/22/91/86/1042229186.db2.gz GITZGKUTRQOAPT-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001263301012 1042229190 /nfs/dbraw/zinc/22/91/90/1042229190.db2.gz GITZGKUTRQOAPT-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001263301012 1042229194 /nfs/dbraw/zinc/22/91/94/1042229194.db2.gz GITZGKUTRQOAPT-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP COc1cc(C#N)ccc1C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001279297339 1042988741 /nfs/dbraw/zinc/98/87/41/1042988741.db2.gz XJEVEVZHQIMVDI-RTWAWAEBSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCc1cccc(C[N@@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c1O ZINC001279605072 1043329234 /nfs/dbraw/zinc/32/92/34/1043329234.db2.gz VFFXOJFSOCOTAS-AZUAARDMSA-N 2 2 352.482 2.524 20 30 FFEDLP C=CCc1cccc(C[N@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c1O ZINC001279605072 1043329246 /nfs/dbraw/zinc/32/92/46/1043329246.db2.gz VFFXOJFSOCOTAS-AZUAARDMSA-N 2 2 352.482 2.524 20 30 FFEDLP C[C@@H]1CCCN(C(=O)CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001330082350 1049033136 /nfs/dbraw/zinc/03/31/36/1049033136.db2.gz XLJKHXPFQXARKQ-GOSISDBHSA-N 2 2 368.525 2.761 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC)[NH+](C)C ZINC001316738775 1051958062 /nfs/dbraw/zinc/95/80/62/1051958062.db2.gz IRVDCHMSYWMGDK-OTWHNJEPSA-N 2 2 360.477 2.507 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC)[NH+](C)C ZINC001316738775 1051958075 /nfs/dbraw/zinc/95/80/75/1051958075.db2.gz IRVDCHMSYWMGDK-OTWHNJEPSA-N 2 2 360.477 2.507 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308165626 1052422299 /nfs/dbraw/zinc/42/22/99/1052422299.db2.gz PREFIFFIZPUSJT-SJORKVTESA-N 2 2 359.518 2.826 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308165626 1052422304 /nfs/dbraw/zinc/42/23/04/1052422304.db2.gz PREFIFFIZPUSJT-SJORKVTESA-N 2 2 359.518 2.826 20 30 FFEDLP COc1cc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC001308483652 1052459457 /nfs/dbraw/zinc/45/94/57/1052459457.db2.gz BXZODVXPKAIRTQ-UHFFFAOYSA-N 2 2 350.466 2.759 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001339528070 1056550256 /nfs/dbraw/zinc/55/02/56/1056550256.db2.gz BIUJEWXPBXQWRR-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001339528070 1056550268 /nfs/dbraw/zinc/55/02/68/1056550268.db2.gz BIUJEWXPBXQWRR-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCOc1ccc(CC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cc1 ZINC001454650947 1059598534 /nfs/dbraw/zinc/59/85/34/1059598534.db2.gz UMTUBGHHWWLMDQ-UHFFFAOYSA-N 2 2 366.465 2.579 20 30 FFEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1OCC ZINC001479539403 1062509293 /nfs/dbraw/zinc/50/92/93/1062509293.db2.gz BAUWUIYGTDPQHJ-UYAOXDASSA-N 2 2 368.481 2.515 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001479642088 1062695802 /nfs/dbraw/zinc/69/58/02/1062695802.db2.gz ACZSWBQTSJKUMF-LSTHTHJFSA-N 2 2 365.481 2.875 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001479642088 1062695805 /nfs/dbraw/zinc/69/58/05/1062695805.db2.gz ACZSWBQTSJKUMF-LSTHTHJFSA-N 2 2 365.481 2.875 20 30 FFEDLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H](O)c2cccc(C#N)c2)cc1 ZINC001578186783 1078448664 /nfs/dbraw/zinc/44/86/64/1078448664.db2.gz FNMXJBMHDUGXNJ-FKBYEOEOSA-N 2 2 365.477 2.726 20 30 FFEDLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000285700765 257000232 /nfs/dbraw/zinc/00/02/32/257000232.db2.gz OUZBMIBSPIFULR-NXEWRWPSSA-N 2 2 354.498 2.683 20 30 FFEDLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000285700765 257000233 /nfs/dbraw/zinc/00/02/33/257000233.db2.gz OUZBMIBSPIFULR-NXEWRWPSSA-N 2 2 354.498 2.683 20 30 FFEDLP C=CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccs1 ZINC000044850261 506893806 /nfs/dbraw/zinc/89/38/06/506893806.db2.gz WIYRMMZRGZSXNA-UHFFFAOYSA-N 2 2 370.522 2.870 20 30 FFEDLP C=CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccs1 ZINC000044850261 506893807 /nfs/dbraw/zinc/89/38/07/506893807.db2.gz WIYRMMZRGZSXNA-UHFFFAOYSA-N 2 2 370.522 2.870 20 30 FFEDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1OCCCC#N ZINC000093665238 508152178 /nfs/dbraw/zinc/15/21/78/508152178.db2.gz ZSPBBUPOSJFSNE-LJQANCHMSA-N 2 2 373.497 2.532 20 30 FFEDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1OCCCC#N ZINC000093665238 508152181 /nfs/dbraw/zinc/15/21/81/508152181.db2.gz ZSPBBUPOSJFSNE-LJQANCHMSA-N 2 2 373.497 2.532 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1C ZINC000152366820 508432219 /nfs/dbraw/zinc/43/22/19/508432219.db2.gz VFWLKZYJCSSQQV-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1C ZINC000152366820 508432220 /nfs/dbraw/zinc/43/22/20/508432220.db2.gz VFWLKZYJCSSQQV-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1C ZINC000152366820 508432223 /nfs/dbraw/zinc/43/22/23/508432223.db2.gz VFWLKZYJCSSQQV-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000152366820 508432225 /nfs/dbraw/zinc/43/22/25/508432225.db2.gz VFWLKZYJCSSQQV-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000127329176 508432821 /nfs/dbraw/zinc/43/28/21/508432821.db2.gz YPZJXLJTZGGLOZ-UHFFFAOYSA-N 2 2 360.465 2.824 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000116339868 508500948 /nfs/dbraw/zinc/50/09/48/508500948.db2.gz GLKHEAFHGFTTKY-UHFFFAOYSA-N 2 2 371.525 2.722 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134942121 508577202 /nfs/dbraw/zinc/57/72/02/508577202.db2.gz IFDOMAOLJDQVKB-XAUMDUMWSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134942121 508577206 /nfs/dbraw/zinc/57/72/06/508577206.db2.gz IFDOMAOLJDQVKB-XAUMDUMWSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134942121 508577208 /nfs/dbraw/zinc/57/72/08/508577208.db2.gz IFDOMAOLJDQVKB-XAUMDUMWSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134942121 508577211 /nfs/dbraw/zinc/57/72/11/508577211.db2.gz IFDOMAOLJDQVKB-XAUMDUMWSA-N 2 2 352.482 2.834 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000123817510 508743030 /nfs/dbraw/zinc/74/30/30/508743030.db2.gz NANZWYBPXOFBFP-KRWDZBQOSA-N 2 2 351.454 2.575 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000123817510 508743031 /nfs/dbraw/zinc/74/30/31/508743031.db2.gz NANZWYBPXOFBFP-KRWDZBQOSA-N 2 2 351.454 2.575 20 30 FFEDLP CC(C)[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)[NH+]1CCN(C)CC1 ZINC000267336969 509453229 /nfs/dbraw/zinc/45/32/29/509453229.db2.gz SFEWQKIMMDXMAK-FQEVSTJZSA-N 2 2 357.546 2.564 20 30 FFEDLP COCc1noc([C@H](C)O[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000182917044 509493986 /nfs/dbraw/zinc/49/39/86/509493986.db2.gz IEXYINNEVDVXQW-AWEZNQCLSA-N 2 2 373.457 2.600 20 30 FFEDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000173616132 509677013 /nfs/dbraw/zinc/67/70/13/509677013.db2.gz DDPXRISKHRRXIE-ZDUSSCGKSA-N 2 2 360.527 2.898 20 30 FFEDLP C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245516752 509979960 /nfs/dbraw/zinc/97/99/60/509979960.db2.gz GEEFCOVHWGMFOQ-UXPWSPDFSA-N 2 2 363.465 2.833 20 30 FFEDLP CC[NH+]=C(NCCc1csc(C)n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261931720 510119474 /nfs/dbraw/zinc/11/94/74/510119474.db2.gz BOCALNDGSCFATM-WMLDXEAASA-N 2 2 360.531 2.739 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000269411337 510393208 /nfs/dbraw/zinc/39/32/08/510393208.db2.gz JHFNPGQNDIBNCS-TZIWHRDSSA-N 2 2 353.441 2.670 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000269411337 510393213 /nfs/dbraw/zinc/39/32/13/510393213.db2.gz JHFNPGQNDIBNCS-TZIWHRDSSA-N 2 2 353.441 2.670 20 30 FFEDLP C[N@H+](CCOc1ccc(C#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188278465 510684683 /nfs/dbraw/zinc/68/46/83/510684683.db2.gz CADOHZYZYYTRBI-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[N@@H+](CCOc1ccc(C#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188278465 510684685 /nfs/dbraw/zinc/68/46/85/510684685.db2.gz CADOHZYZYYTRBI-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1ccc(C#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188278465 510684691 /nfs/dbraw/zinc/68/46/91/510684691.db2.gz CADOHZYZYYTRBI-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1ccc(C#N)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188278465 510684696 /nfs/dbraw/zinc/68/46/96/510684696.db2.gz CADOHZYZYYTRBI-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188323688 510708712 /nfs/dbraw/zinc/70/87/12/510708712.db2.gz SIHBTJCEVUSGMR-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188323688 510708723 /nfs/dbraw/zinc/70/87/23/510708723.db2.gz SIHBTJCEVUSGMR-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(C#N)cc1F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188323688 510708727 /nfs/dbraw/zinc/70/87/27/510708727.db2.gz SIHBTJCEVUSGMR-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(C#N)cc1F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188323688 510708734 /nfs/dbraw/zinc/70/87/34/510708734.db2.gz SIHBTJCEVUSGMR-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329963603 510888851 /nfs/dbraw/zinc/88/88/51/510888851.db2.gz QAGPKPUYOMABLH-IAGOWNOFSA-N 2 2 367.497 2.769 20 30 FFEDLP CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000330240925 510946039 /nfs/dbraw/zinc/94/60/39/510946039.db2.gz BQHWOQWNZUHERU-GOSISDBHSA-N 2 2 367.497 2.708 20 30 FFEDLP CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000330240925 510946042 /nfs/dbraw/zinc/94/60/42/510946042.db2.gz BQHWOQWNZUHERU-GOSISDBHSA-N 2 2 367.497 2.708 20 30 FFEDLP Cn1cc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000361068255 510988262 /nfs/dbraw/zinc/98/82/62/510988262.db2.gz PQWUEJUQFOTHGB-UHFFFAOYSA-N 2 2 369.432 2.829 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000365623334 511565912 /nfs/dbraw/zinc/56/59/12/511565912.db2.gz GFPZJXNHECCUHX-OAHLLOKOSA-N 2 2 369.494 2.854 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000365623334 511565920 /nfs/dbraw/zinc/56/59/20/511565920.db2.gz GFPZJXNHECCUHX-OAHLLOKOSA-N 2 2 369.494 2.854 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C1CC[NH+](Cc3nccn3C)CC1)CCC2 ZINC000328777432 511930196 /nfs/dbraw/zinc/93/01/96/511930196.db2.gz IKGCUEVURGCSOD-KRWDZBQOSA-N 2 2 370.501 2.671 20 30 FFEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329270614 512017507 /nfs/dbraw/zinc/01/75/07/512017507.db2.gz HNVHNSCYOIDLDI-IBGZPJMESA-N 2 2 354.454 2.972 20 30 FFEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329270614 512017514 /nfs/dbraw/zinc/01/75/14/512017514.db2.gz HNVHNSCYOIDLDI-IBGZPJMESA-N 2 2 354.454 2.972 20 30 FFEDLP CC1CCN(c2ccc(CNC(=O)N3CC[NH+](C4CCC4)CC3)c[nH+]2)CC1 ZINC000329385394 512038428 /nfs/dbraw/zinc/03/84/28/512038428.db2.gz PWZHLVAQPFTJJM-UHFFFAOYSA-N 2 2 371.529 2.902 20 30 FFEDLP C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411129470 512481639 /nfs/dbraw/zinc/48/16/39/512481639.db2.gz GJXRKFZHICFDCD-IBGZPJMESA-N 2 2 364.493 2.807 20 30 FFEDLP C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411129470 512481643 /nfs/dbraw/zinc/48/16/43/512481643.db2.gz GJXRKFZHICFDCD-IBGZPJMESA-N 2 2 364.493 2.807 20 30 FFEDLP Cc1cc(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425205404 513451338 /nfs/dbraw/zinc/45/13/38/513451338.db2.gz JAUZOLXJMRQZBK-CALCHBBNSA-N 2 2 350.466 2.905 20 30 FFEDLP Cc1cc(NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425205404 513451345 /nfs/dbraw/zinc/45/13/45/513451345.db2.gz JAUZOLXJMRQZBK-CALCHBBNSA-N 2 2 350.466 2.905 20 30 FFEDLP Cc1cc(N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000425218670 513457711 /nfs/dbraw/zinc/45/77/11/513457711.db2.gz ZCABQZXQMFZTQT-UHFFFAOYSA-N 2 2 371.529 2.713 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C(C)C ZINC000423325938 514109769 /nfs/dbraw/zinc/10/97/69/514109769.db2.gz CGRBQFJDKSJAOL-AEFFLSMTSA-N 2 2 351.441 2.779 20 30 FFEDLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433303456 514452081 /nfs/dbraw/zinc/45/20/81/514452081.db2.gz LCBTUDAPAIOVDA-KRWDZBQOSA-N 2 2 356.514 2.637 20 30 FFEDLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433303456 514452087 /nfs/dbraw/zinc/45/20/87/514452087.db2.gz LCBTUDAPAIOVDA-KRWDZBQOSA-N 2 2 356.514 2.637 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(=O)N3Cc4ccccc4C3)CC2)cc1 ZINC000463248675 515419637 /nfs/dbraw/zinc/41/96/37/515419637.db2.gz WASACAUKIDEIJA-UHFFFAOYSA-N 2 2 374.488 2.655 20 30 FFEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000470014246 516080513 /nfs/dbraw/zinc/08/05/13/516080513.db2.gz XBZSFOHTOMUSCF-LBPRGKRZSA-N 2 2 355.276 2.803 20 30 FFEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000470014246 516080519 /nfs/dbraw/zinc/08/05/19/516080519.db2.gz XBZSFOHTOMUSCF-LBPRGKRZSA-N 2 2 355.276 2.803 20 30 FFEDLP N#CCCC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000551210123 516607267 /nfs/dbraw/zinc/60/72/67/516607267.db2.gz VTIRZTIEKRXPDT-JOCHJYFZSA-N 2 2 370.541 2.808 20 30 FFEDLP N#CCCC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000551210123 516607278 /nfs/dbraw/zinc/60/72/78/516607278.db2.gz VTIRZTIEKRXPDT-JOCHJYFZSA-N 2 2 370.541 2.808 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000538394092 517601856 /nfs/dbraw/zinc/60/18/56/517601856.db2.gz NDZDKJPMJADYMT-SFHVURJKSA-N 2 2 366.431 2.749 20 30 FFEDLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(CCC#N)CC2)CC1 ZINC000567789872 518711726 /nfs/dbraw/zinc/71/17/26/518711726.db2.gz GWMMJZFGUCUGMZ-UHFFFAOYSA-N 2 2 368.525 2.655 20 30 FFEDLP N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c[nH+]cn3Cc3ccccc3)C2)nc1 ZINC000571235409 518992916 /nfs/dbraw/zinc/99/29/16/518992916.db2.gz SYWDUGJDDOWIFJ-FQEVSTJZSA-N 2 2 359.433 2.851 20 30 FFEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c[nH+]cn3Cc3ccccc3)C2)nc1 ZINC000571235409 518992928 /nfs/dbraw/zinc/99/29/28/518992928.db2.gz SYWDUGJDDOWIFJ-FQEVSTJZSA-N 2 2 359.433 2.851 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000565924968 519197908 /nfs/dbraw/zinc/19/79/08/519197908.db2.gz ZCLIJVLALVHMJB-OXQOHEQNSA-N 2 2 358.486 2.676 20 30 FFEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000580949711 519443813 /nfs/dbraw/zinc/44/38/13/519443813.db2.gz WBRLUHPOJYJGKY-HNNXBMFYSA-N 2 2 369.494 2.661 20 30 FFEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000580949711 519443818 /nfs/dbraw/zinc/44/38/18/519443818.db2.gz WBRLUHPOJYJGKY-HNNXBMFYSA-N 2 2 369.494 2.661 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157794 520212958 /nfs/dbraw/zinc/21/29/58/520212958.db2.gz XDFSPHYZOSUHNI-PKOBYXMFSA-N 2 2 351.454 2.855 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157794 520212963 /nfs/dbraw/zinc/21/29/63/520212963.db2.gz XDFSPHYZOSUHNI-PKOBYXMFSA-N 2 2 351.454 2.855 20 30 FFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000594994304 520248078 /nfs/dbraw/zinc/24/80/78/520248078.db2.gz SKCNTIPVSAFPMU-MRXNPFEDSA-N 2 2 353.388 2.920 20 30 FFEDLP CC(C)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[NH+]1CCCCCC1 ZINC000600719143 520421150 /nfs/dbraw/zinc/42/11/50/520421150.db2.gz BZBAPGNJMSYZLO-OALUTQOASA-N 2 2 351.535 2.548 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504445 520514915 /nfs/dbraw/zinc/51/49/15/520514915.db2.gz JMGODFGQNYFAPH-OHWJTAOLSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504445 520514922 /nfs/dbraw/zinc/51/49/22/520514922.db2.gz JMGODFGQNYFAPH-OHWJTAOLSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504445 520514927 /nfs/dbraw/zinc/51/49/27/520514927.db2.gz JMGODFGQNYFAPH-OHWJTAOLSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504445 520514932 /nfs/dbraw/zinc/51/49/32/520514932.db2.gz JMGODFGQNYFAPH-OHWJTAOLSA-N 2 2 360.546 2.723 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000595507083 520517635 /nfs/dbraw/zinc/51/76/35/520517635.db2.gz JVTAZOOHXIJOSM-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000595507083 520517642 /nfs/dbraw/zinc/51/76/42/520517642.db2.gz JVTAZOOHXIJOSM-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000595507083 520517649 /nfs/dbraw/zinc/51/76/49/520517649.db2.gz JVTAZOOHXIJOSM-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000595507083 520517660 /nfs/dbraw/zinc/51/76/60/520517660.db2.gz JVTAZOOHXIJOSM-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000602575658 521417733 /nfs/dbraw/zinc/41/77/33/521417733.db2.gz UXNOEMASMMDYFU-AEFFLSMTSA-N 2 2 357.502 2.733 20 30 FFEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cc(C#N)cnc3Cl)[nH+]c2)C1 ZINC000877116956 732324920 /nfs/dbraw/zinc/32/49/20/732324920.db2.gz CGYPSYGWNUSUCB-MRXNPFEDSA-N 2 2 356.861 2.754 20 30 FFEDLP C[C@@H](C#N)OCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000796192001 740114334 /nfs/dbraw/zinc/11/43/34/740114334.db2.gz SVJCUMIWMCWNNI-ZDUSSCGKSA-N 2 2 367.247 2.669 20 30 FFEDLP C[C@@H](C#N)OCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000796192001 740114338 /nfs/dbraw/zinc/11/43/38/740114338.db2.gz SVJCUMIWMCWNNI-ZDUSSCGKSA-N 2 2 367.247 2.669 20 30 FFEDLP CCO[C@@H]1C[C@@H](NC(NC2CCN(c3cccc[nH+]3)CC2)=[NH+]C)C12CCC2 ZINC000262340862 971958948 /nfs/dbraw/zinc/95/89/48/971958948.db2.gz COFVDNTWXBFRNB-QZTJIDSGSA-N 2 2 371.529 2.563 20 30 FFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC000960027001 1013306083 /nfs/dbraw/zinc/30/60/83/1013306083.db2.gz HWJKVFORWFISEV-IAOVAPTHSA-N 2 2 369.494 2.617 20 30 FFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC000960027001 1013306091 /nfs/dbraw/zinc/30/60/91/1013306091.db2.gz HWJKVFORWFISEV-IAOVAPTHSA-N 2 2 369.494 2.617 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087625445 968405821 /nfs/dbraw/zinc/40/58/21/968405821.db2.gz IIQNYFKCUZANOC-KSZLIROESA-N 2 2 360.527 2.573 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087625445 968405828 /nfs/dbraw/zinc/40/58/28/968405828.db2.gz IIQNYFKCUZANOC-KSZLIROESA-N 2 2 360.527 2.573 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087625445 968405835 /nfs/dbraw/zinc/40/58/35/968405835.db2.gz IIQNYFKCUZANOC-KSZLIROESA-N 2 2 360.527 2.573 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087625445 968405838 /nfs/dbraw/zinc/40/58/38/968405838.db2.gz IIQNYFKCUZANOC-KSZLIROESA-N 2 2 360.527 2.573 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088126056 972948972 /nfs/dbraw/zinc/94/89/72/972948972.db2.gz MJDRDUMVUKRUQU-CVEARBPZSA-N 2 2 350.894 2.539 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088126056 972948981 /nfs/dbraw/zinc/94/89/81/972948981.db2.gz MJDRDUMVUKRUQU-CVEARBPZSA-N 2 2 350.894 2.539 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087441384 977488309 /nfs/dbraw/zinc/48/83/09/977488309.db2.gz DTUKWSDMFZXGNV-NHCUHLMSSA-N 2 2 366.509 2.903 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087441384 977488314 /nfs/dbraw/zinc/48/83/14/977488314.db2.gz DTUKWSDMFZXGNV-NHCUHLMSSA-N 2 2 366.509 2.903 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001087455722 977777062 /nfs/dbraw/zinc/77/70/62/977777062.db2.gz JRKKDWJOZWHOBW-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001087455722 977777066 /nfs/dbraw/zinc/77/70/66/977777066.db2.gz JRKKDWJOZWHOBW-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001087455722 977777077 /nfs/dbraw/zinc/77/70/77/977777077.db2.gz JRKKDWJOZWHOBW-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C[C@@H]1COCCC[NH+]1Cc1cc(C#N)cc(C[N@H+]2CCCOC[C@@H]2C)c1 ZINC000878285845 1014965523 /nfs/dbraw/zinc/96/55/23/1014965523.db2.gz HPOBIRURVMFCJW-HDICACEKSA-N 2 2 357.498 2.780 20 30 FFEDLP C[C@@H]1COCCC[NH+]1Cc1cc(C#N)cc(C[N@@H+]2CCCOC[C@@H]2C)c1 ZINC000878285845 1014965544 /nfs/dbraw/zinc/96/55/44/1014965544.db2.gz HPOBIRURVMFCJW-HDICACEKSA-N 2 2 357.498 2.780 20 30 FFEDLP C[C@@H]1COCCC[N@H+]1Cc1cc(C#N)cc(C[NH+]2CCCOC[C@@H]2C)c1 ZINC000878285845 1014965552 /nfs/dbraw/zinc/96/55/52/1014965552.db2.gz HPOBIRURVMFCJW-HDICACEKSA-N 2 2 357.498 2.780 20 30 FFEDLP C[C@@H]1COCCC[N@@H+]1Cc1cc(C#N)cc(C[NH+]2CCCOC[C@@H]2C)c1 ZINC000878285845 1014965563 /nfs/dbraw/zinc/96/55/63/1014965563.db2.gz HPOBIRURVMFCJW-HDICACEKSA-N 2 2 357.498 2.780 20 30 FFEDLP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034211997 989965112 /nfs/dbraw/zinc/96/51/12/989965112.db2.gz FOSOYBAEQJEIQB-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034211997 989965124 /nfs/dbraw/zinc/96/51/24/989965124.db2.gz FOSOYBAEQJEIQB-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1c1ccc(F)cc1 ZINC001079161482 991867493 /nfs/dbraw/zinc/86/74/93/991867493.db2.gz RSFHJEFGMSHRKD-AZUAARDMSA-N 2 2 370.472 2.950 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001081195430 993749103 /nfs/dbraw/zinc/74/91/03/993749103.db2.gz ABUYULGKYFEURM-FFZOFVMBSA-N 2 2 352.482 2.749 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001081195430 993749111 /nfs/dbraw/zinc/74/91/11/993749111.db2.gz ABUYULGKYFEURM-FFZOFVMBSA-N 2 2 352.482 2.749 20 30 FFEDLP NC(=[NH+]OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000809992950 994659411 /nfs/dbraw/zinc/65/94/11/994659411.db2.gz CCFFVNBUELVSKI-IBGZPJMESA-N 2 2 357.429 2.754 20 30 FFEDLP NC(=[NH+]OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(F)cc1 ZINC000809992950 994659413 /nfs/dbraw/zinc/65/94/13/994659413.db2.gz CCFFVNBUELVSKI-IBGZPJMESA-N 2 2 357.429 2.754 20 30 FFEDLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082640590 995157227 /nfs/dbraw/zinc/15/72/27/995157227.db2.gz IMUUCXBZNVYGGT-CZUORRHYSA-N 2 2 365.462 2.518 20 30 FFEDLP CN(C(=O)c1ccccc1SCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559273 998701465 /nfs/dbraw/zinc/70/14/65/998701465.db2.gz KEMBQWYRUQKJHS-QGZVFWFLSA-N 2 2 372.538 2.543 20 30 FFEDLP CN(C(=O)c1ccccc1SCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559273 998701468 /nfs/dbraw/zinc/70/14/68/998701468.db2.gz KEMBQWYRUQKJHS-QGZVFWFLSA-N 2 2 372.538 2.543 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001109731745 1000919977 /nfs/dbraw/zinc/91/99/77/1000919977.db2.gz LBWIMAMXEPWXPL-FYQPLNBISA-N 2 2 373.928 2.753 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001109731745 1000919983 /nfs/dbraw/zinc/91/99/83/1000919983.db2.gz LBWIMAMXEPWXPL-FYQPLNBISA-N 2 2 373.928 2.753 20 30 FFEDLP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001147573166 1000921363 /nfs/dbraw/zinc/92/13/63/1000921363.db2.gz VCYKGHVETCYVGY-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001147573166 1000921369 /nfs/dbraw/zinc/92/13/69/1000921369.db2.gz VCYKGHVETCYVGY-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684700 1001054652 /nfs/dbraw/zinc/05/46/52/1001054652.db2.gz LLRMUFQGMAZBOY-FCEWJHQRSA-N 2 2 364.921 2.929 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684700 1001054656 /nfs/dbraw/zinc/05/46/56/1001054656.db2.gz LLRMUFQGMAZBOY-FCEWJHQRSA-N 2 2 364.921 2.929 20 30 FFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970081 1001213304 /nfs/dbraw/zinc/21/33/04/1001213304.db2.gz MZUUTTNLUMUUDM-MNEFBYGVSA-N 2 2 351.454 2.569 20 30 FFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001109970081 1001213308 /nfs/dbraw/zinc/21/33/08/1001213308.db2.gz MZUUTTNLUMUUDM-MNEFBYGVSA-N 2 2 351.454 2.569 20 30 FFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001112556820 1001466791 /nfs/dbraw/zinc/46/67/91/1001466791.db2.gz WKVYEMZKIQMENJ-UWJYYQICSA-N 2 2 365.481 2.675 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](c1cccnc1)[NH+](C)C)C2 ZINC001112586550 1001539269 /nfs/dbraw/zinc/53/92/69/1001539269.db2.gz FKUKQWBEIYKWLU-VWPQPMDRSA-N 2 2 370.541 2.869 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086595771 1002605442 /nfs/dbraw/zinc/60/54/42/1002605442.db2.gz SNQQLOGFHLBAAU-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086595771 1002605445 /nfs/dbraw/zinc/60/54/45/1002605445.db2.gz SNQQLOGFHLBAAU-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1=CCCCC1 ZINC001095556355 1016752755 /nfs/dbraw/zinc/75/27/55/1016752755.db2.gz NEVQPWJVDDHLMF-ANULTFPQSA-N 2 2 355.526 2.696 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1=CCCCC1 ZINC001095556355 1016752768 /nfs/dbraw/zinc/75/27/68/1016752768.db2.gz NEVQPWJVDDHLMF-ANULTFPQSA-N 2 2 355.526 2.696 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001095556355 1016752781 /nfs/dbraw/zinc/75/27/81/1016752781.db2.gz NEVQPWJVDDHLMF-ANULTFPQSA-N 2 2 355.526 2.696 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1=CCCCC1 ZINC001095556355 1016752791 /nfs/dbraw/zinc/75/27/91/1016752791.db2.gz NEVQPWJVDDHLMF-ANULTFPQSA-N 2 2 355.526 2.696 20 30 FFEDLP CCCCCCC[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001201762535 1005263182 /nfs/dbraw/zinc/26/31/82/1005263182.db2.gz OIKJEGGTESTXSI-IBGZPJMESA-N 2 2 363.550 2.797 20 30 FFEDLP CCCCCCC[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001201762535 1005263184 /nfs/dbraw/zinc/26/31/84/1005263184.db2.gz OIKJEGGTESTXSI-IBGZPJMESA-N 2 2 363.550 2.797 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167474 1006952540 /nfs/dbraw/zinc/95/25/40/1006952540.db2.gz PFZYZCKADPVGQQ-JRBPQWBISA-N 2 2 356.514 2.803 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001189167474 1006952548 /nfs/dbraw/zinc/95/25/48/1006952548.db2.gz PFZYZCKADPVGQQ-JRBPQWBISA-N 2 2 356.514 2.803 20 30 FFEDLP CC(C)[N@H+](C)Cc1nnc2n1CCC[NH+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308428 1011738511 /nfs/dbraw/zinc/73/85/11/1011738511.db2.gz XXRMVQODIPVGCM-KRWDZBQOSA-N 2 2 366.513 2.827 20 30 FFEDLP CC(C)[N@@H+](C)Cc1nnc2n1CCC[NH+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308428 1011738526 /nfs/dbraw/zinc/73/85/26/1011738526.db2.gz XXRMVQODIPVGCM-KRWDZBQOSA-N 2 2 366.513 2.827 20 30 FFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308428 1011738542 /nfs/dbraw/zinc/73/85/42/1011738542.db2.gz XXRMVQODIPVGCM-KRWDZBQOSA-N 2 2 366.513 2.827 20 30 FFEDLP CC(C)[NH+](C)Cc1nnc2n1CCC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308428 1011738557 /nfs/dbraw/zinc/73/85/57/1011738557.db2.gz XXRMVQODIPVGCM-KRWDZBQOSA-N 2 2 366.513 2.827 20 30 FFEDLP COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001172590458 1011900475 /nfs/dbraw/zinc/90/04/75/1011900475.db2.gz CVOLAHQCVYOISQ-ICSRJNTNSA-N 2 2 355.482 2.844 20 30 FFEDLP CCCCCCCC[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275113544 1011954450 /nfs/dbraw/zinc/95/44/50/1011954450.db2.gz FHSIKKDWQOZOSN-HXUWFJFHSA-N 2 2 362.518 2.584 20 30 FFEDLP CCCCCCCC[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001275113544 1011954463 /nfs/dbraw/zinc/95/44/63/1011954463.db2.gz FHSIKKDWQOZOSN-HXUWFJFHSA-N 2 2 362.518 2.584 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C[C@H]1C#N ZINC001172974713 1012143820 /nfs/dbraw/zinc/14/38/20/1012143820.db2.gz RVPBVJUXELEGPB-BZSNNMDCSA-N 2 2 362.518 2.742 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C[C@H]1C#N ZINC001172974713 1012143829 /nfs/dbraw/zinc/14/38/29/1012143829.db2.gz RVPBVJUXELEGPB-BZSNNMDCSA-N 2 2 362.518 2.742 20 30 FFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCc1ccc(OC)c(OC)c1)c1ccco1 ZINC000303905534 1012513437 /nfs/dbraw/zinc/51/34/37/1012513437.db2.gz ZMQTUYDFYPYSSZ-MRXNPFEDSA-N 2 2 374.485 2.784 20 30 FFEDLP Cc1cc(C)cc(NC(=[NH2+])NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000304796201 1012874360 /nfs/dbraw/zinc/87/43/60/1012874360.db2.gz MQQYERZFNZPKNY-UHFFFAOYSA-N 3 2 357.546 2.980 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365665424 1019941879 /nfs/dbraw/zinc/94/18/79/1019941879.db2.gz PEYKLMMSALFXRM-ZWKOTPCHSA-N 2 2 365.481 2.935 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365665424 1019941885 /nfs/dbraw/zinc/94/18/85/1019941885.db2.gz PEYKLMMSALFXRM-ZWKOTPCHSA-N 2 2 365.481 2.935 20 30 FFEDLP C#CCC1([NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC000933269224 1020988488 /nfs/dbraw/zinc/98/84/88/1020988488.db2.gz KCNKGFAAJZHVAG-UHFFFAOYSA-N 2 2 369.509 2.773 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)CC3CCOCC3)CC2)cc1 ZINC001116826057 1021438793 /nfs/dbraw/zinc/43/87/93/1021438793.db2.gz WGYKJBMFRYFCJI-NRFANRHFSA-N 2 2 371.525 2.537 20 30 FFEDLP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000948930012 1023417093 /nfs/dbraw/zinc/41/70/93/1023417093.db2.gz WZDIHBZKLNECJT-GGPKGHCWSA-N 2 2 350.466 2.805 20 30 FFEDLP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000948930012 1023417097 /nfs/dbraw/zinc/41/70/97/1023417097.db2.gz WZDIHBZKLNECJT-GGPKGHCWSA-N 2 2 350.466 2.805 20 30 FFEDLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758218981 1023970506 /nfs/dbraw/zinc/97/05/06/1023970506.db2.gz VOSYDOQWJIRUDG-UHFFFAOYSA-N 2 2 350.466 2.521 20 30 FFEDLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758218981 1023970521 /nfs/dbraw/zinc/97/05/21/1023970521.db2.gz VOSYDOQWJIRUDG-UHFFFAOYSA-N 2 2 350.466 2.521 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001102996676 1026866721 /nfs/dbraw/zinc/86/67/21/1026866721.db2.gz DEMGVTFHVWKMAC-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001102996676 1026866726 /nfs/dbraw/zinc/86/67/26/1026866726.db2.gz DEMGVTFHVWKMAC-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001103010037 1026875037 /nfs/dbraw/zinc/87/50/37/1026875037.db2.gz YGXUEHWVXYLUEV-QZTJIDSGSA-N 2 2 358.530 2.802 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001103010037 1026875048 /nfs/dbraw/zinc/87/50/48/1026875048.db2.gz YGXUEHWVXYLUEV-QZTJIDSGSA-N 2 2 358.530 2.802 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001103534037 1027648487 /nfs/dbraw/zinc/64/84/87/1027648487.db2.gz OSYFQADOORBNIV-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001103534037 1027648500 /nfs/dbraw/zinc/64/85/00/1027648500.db2.gz OSYFQADOORBNIV-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP N#Cc1c(Cl)c2ccccc2nc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158266584 1029779317 /nfs/dbraw/zinc/77/93/17/1029779317.db2.gz DJUGYFKTVDBOAT-CYBMUJFWSA-N 2 2 355.873 2.762 20 30 FFEDLP N#Cc1c(Cl)c2ccccc2nc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158266584 1029779325 /nfs/dbraw/zinc/77/93/25/1029779325.db2.gz DJUGYFKTVDBOAT-CYBMUJFWSA-N 2 2 355.873 2.762 20 30 FFEDLP Cc1[nH+]c2c(n1-c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)CC[NH2+]CC2 ZINC001165352383 1029954923 /nfs/dbraw/zinc/95/49/23/1029954923.db2.gz RTORVHNARTZFDL-QGZVFWFLSA-N 2 2 358.449 2.623 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001112436744 1030807113 /nfs/dbraw/zinc/80/71/13/1030807113.db2.gz DALFHYPXQOZRIC-WFXMLNOXSA-N 2 2 356.514 2.630 20 30 FFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001112439009 1030809685 /nfs/dbraw/zinc/80/96/85/1030809685.db2.gz NENPOVCAJIKNRN-FIKGOQFSSA-N 2 2 356.514 2.617 20 30 FFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001112439009 1030809694 /nfs/dbraw/zinc/80/96/94/1030809694.db2.gz NENPOVCAJIKNRN-FIKGOQFSSA-N 2 2 356.514 2.617 20 30 FFEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205658174 1031911066 /nfs/dbraw/zinc/91/10/66/1031911066.db2.gz ZYDUZUAKYLZBMS-IMFGXOCKSA-N 2 2 368.456 2.581 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1F ZINC001205678472 1031928815 /nfs/dbraw/zinc/92/88/15/1031928815.db2.gz IQFMZLYGAVFXPS-FXAWDEMLSA-N 2 2 370.472 2.950 20 30 FFEDLP N#Cc1cccc2c(C[NH+]3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c[nH]c21 ZINC001139701739 1035202260 /nfs/dbraw/zinc/20/22/60/1035202260.db2.gz PSCWUSIYULKKSK-OALUTQOASA-N 2 2 357.461 2.998 20 30 FFEDLP C=CCn1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cn1 ZINC001139769811 1035225499 /nfs/dbraw/zinc/22/54/99/1035225499.db2.gz RJXYFMLYJOVHPF-HKBOAZHASA-N 2 2 368.529 2.639 20 30 FFEDLP C=CCn1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cn1 ZINC001139769811 1035225503 /nfs/dbraw/zinc/22/55/03/1035225503.db2.gz RJXYFMLYJOVHPF-HKBOAZHASA-N 2 2 368.529 2.639 20 30 FFEDLP C=CCn1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cn1 ZINC001139769811 1035225507 /nfs/dbraw/zinc/22/55/07/1035225507.db2.gz RJXYFMLYJOVHPF-HKBOAZHASA-N 2 2 368.529 2.639 20 30 FFEDLP C=CCn1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cn1 ZINC001139769811 1035225511 /nfs/dbraw/zinc/22/55/11/1035225511.db2.gz RJXYFMLYJOVHPF-HKBOAZHASA-N 2 2 368.529 2.639 20 30 FFEDLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C#N)cc3O)CC2)C1 ZINC001233384180 1036582381 /nfs/dbraw/zinc/58/23/81/1036582381.db2.gz KYICPKDFLPEWOK-GOSISDBHSA-N 2 2 371.481 2.503 20 30 FFEDLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C#N)cc3O)CC2)C1 ZINC001233384180 1036582388 /nfs/dbraw/zinc/58/23/88/1036582388.db2.gz KYICPKDFLPEWOK-GOSISDBHSA-N 2 2 371.481 2.503 20 30 FFEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCCn2cc[nH+]c2)c1 ZINC001230344529 1037240359 /nfs/dbraw/zinc/24/03/59/1037240359.db2.gz YTPCKBTZTMPJKS-WOJBJXKFSA-N 2 2 365.481 2.752 20 30 FFEDLP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230344548 1037240529 /nfs/dbraw/zinc/24/05/29/1037240529.db2.gz ZLHHFXBBXYBBRO-HUUCEWRRSA-N 2 2 369.307 2.589 20 30 FFEDLP C[NH+]1CCN(c2cccc(C[NH+]3CC(Oc4ccccc4C#N)C3)c2)CC1 ZINC001236891748 1038336640 /nfs/dbraw/zinc/33/66/40/1038336640.db2.gz AJCIKDQPQQSEGR-UHFFFAOYSA-N 2 2 362.477 2.573 20 30 FFEDLP C=CCCCCC[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001209423317 1038852761 /nfs/dbraw/zinc/85/27/61/1038852761.db2.gz RZIOPSVBPQFXLA-IBGZPJMESA-N 2 2 361.534 2.573 20 30 FFEDLP C=CCCCCC[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001209423317 1038852781 /nfs/dbraw/zinc/85/27/81/1038852781.db2.gz RZIOPSVBPQFXLA-IBGZPJMESA-N 2 2 361.534 2.573 20 30 FFEDLP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001246309576 1039307586 /nfs/dbraw/zinc/30/75/86/1039307586.db2.gz DVLRZAQBWMOWNA-SJORKVTESA-N 2 2 362.470 2.553 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C[C@H]4CCOC4)C3)C2)cc1C#N ZINC001278463969 1039458813 /nfs/dbraw/zinc/45/88/13/1039458813.db2.gz ONCLYNBHWJBRAN-WIYYLYMNSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C[C@H]4CCOC4)C3)C2)cc1C#N ZINC001278463969 1039458816 /nfs/dbraw/zinc/45/88/16/1039458816.db2.gz ONCLYNBHWJBRAN-WIYYLYMNSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C[C@H]4CCOC4)C3)C2)cc1C#N ZINC001278463969 1039458820 /nfs/dbraw/zinc/45/88/20/1039458820.db2.gz ONCLYNBHWJBRAN-WIYYLYMNSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C[C@H]4CCOC4)C3)C2)cc1C#N ZINC001278463969 1039458824 /nfs/dbraw/zinc/45/88/24/1039458824.db2.gz ONCLYNBHWJBRAN-WIYYLYMNSA-N 2 2 356.514 2.611 20 30 FFEDLP COC(=O)C1(C#N)CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255410037 1041324794 /nfs/dbraw/zinc/32/47/94/1041324794.db2.gz PUAOETRYSGHSCS-LJQANCHMSA-N 2 2 355.482 2.820 20 30 FFEDLP COC(=O)C1(C#N)CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255410037 1041324802 /nfs/dbraw/zinc/32/48/02/1041324802.db2.gz PUAOETRYSGHSCS-LJQANCHMSA-N 2 2 355.482 2.820 20 30 FFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001215226322 1041706582 /nfs/dbraw/zinc/70/65/82/1041706582.db2.gz IVTLUDIJZIFGBI-VAMGGRTRSA-N 2 2 365.562 2.670 20 30 FFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001215226322 1041706588 /nfs/dbraw/zinc/70/65/88/1041706588.db2.gz IVTLUDIJZIFGBI-VAMGGRTRSA-N 2 2 365.562 2.670 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001264037150 1042590577 /nfs/dbraw/zinc/59/05/77/1042590577.db2.gz YGGHBEOGDCPKMX-NHCUHLMSSA-N 2 2 364.493 2.579 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001264037150 1042590582 /nfs/dbraw/zinc/59/05/82/1042590582.db2.gz YGGHBEOGDCPKMX-NHCUHLMSSA-N 2 2 364.493 2.579 20 30 FFEDLP COC(C)(C)CC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001279267431 1042974866 /nfs/dbraw/zinc/97/48/66/1042974866.db2.gz QXEIDSUMCCIEHS-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)CC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001279267431 1042974869 /nfs/dbraw/zinc/97/48/69/1042974869.db2.gz QXEIDSUMCCIEHS-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)CC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001279267431 1042974871 /nfs/dbraw/zinc/97/48/71/1042974871.db2.gz QXEIDSUMCCIEHS-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)CC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001279267431 1042974872 /nfs/dbraw/zinc/97/48/72/1042974872.db2.gz QXEIDSUMCCIEHS-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP Cc1nc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)cs1 ZINC001279401898 1043060060 /nfs/dbraw/zinc/06/00/60/1043060060.db2.gz TWHDXOWDTHHNNZ-UHFFFAOYSA-N 2 2 355.511 2.760 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCCOC2)C3)cc1C#N ZINC001279617613 1043348070 /nfs/dbraw/zinc/34/80/70/1043348070.db2.gz CUFBGDJIKOMTOO-RXVVDRJESA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C[C@@H]2CCCOC2)C3)cc1C#N ZINC001279617613 1043348080 /nfs/dbraw/zinc/34/80/80/1043348080.db2.gz CUFBGDJIKOMTOO-RXVVDRJESA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C[C@@H]2CCCOC2)C3)cc1C#N ZINC001279617613 1043348085 /nfs/dbraw/zinc/34/80/85/1043348085.db2.gz CUFBGDJIKOMTOO-RXVVDRJESA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C[C@@H]2CCCOC2)C3)cc1C#N ZINC001279617613 1043348093 /nfs/dbraw/zinc/34/80/93/1043348093.db2.gz CUFBGDJIKOMTOO-RXVVDRJESA-N 2 2 356.514 2.611 20 30 FFEDLP CN(CC(C)(C)C[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001282305845 1045492818 /nfs/dbraw/zinc/49/28/18/1045492818.db2.gz AADYLDMBXASAHR-QZTJIDSGSA-N 2 2 365.481 2.659 20 30 FFEDLP C=C(Cl)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001328586409 1048369550 /nfs/dbraw/zinc/36/95/50/1048369550.db2.gz BGICANNKNIKRNR-IAGOWNOFSA-N 2 2 364.921 2.837 20 30 FFEDLP C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001328586409 1048369564 /nfs/dbraw/zinc/36/95/64/1048369564.db2.gz BGICANNKNIKRNR-IAGOWNOFSA-N 2 2 364.921 2.837 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001339773700 1050192908 /nfs/dbraw/zinc/19/29/08/1050192908.db2.gz CNVBIVUDODFLTL-IBGZPJMESA-N 2 2 366.513 2.553 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001339773700 1050192911 /nfs/dbraw/zinc/19/29/11/1050192911.db2.gz CNVBIVUDODFLTL-IBGZPJMESA-N 2 2 366.513 2.553 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001342099258 1050693719 /nfs/dbraw/zinc/69/37/19/1050693719.db2.gz GEMDRNWNTMVHJM-UHFFFAOYSA-N 2 2 358.534 2.515 20 30 FFEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848930920 1055390264 /nfs/dbraw/zinc/39/02/64/1055390264.db2.gz YXLUDFLPWGBSPY-NRFANRHFSA-N 2 2 356.514 2.723 20 30 FFEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848930920 1055390275 /nfs/dbraw/zinc/39/02/75/1055390275.db2.gz YXLUDFLPWGBSPY-NRFANRHFSA-N 2 2 356.514 2.723 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001479618257 1062627855 /nfs/dbraw/zinc/62/78/55/1062627855.db2.gz UTONDQQVXIFOKO-WOJBJXKFSA-N 2 2 366.509 2.903 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001479618257 1062627858 /nfs/dbraw/zinc/62/78/58/1062627858.db2.gz UTONDQQVXIFOKO-WOJBJXKFSA-N 2 2 366.509 2.903 20 30 FFEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C(=O)/C=C\c1ccc(F)cc1 ZINC001465206733 1063005850 /nfs/dbraw/zinc/00/58/50/1063005850.db2.gz SBHCCLUTKCTHMV-DAXSKMNVSA-N 2 2 350.353 2.936 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001575047935 1078100380 /nfs/dbraw/zinc/10/03/80/1078100380.db2.gz GHIJGFQBCZNJFK-FTRWYGJKSA-N 2 2 358.461 2.522 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001575047935 1078100384 /nfs/dbraw/zinc/10/03/84/1078100384.db2.gz GHIJGFQBCZNJFK-FTRWYGJKSA-N 2 2 358.461 2.522 20 30 FFEDLP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000373096397 512170274 /nfs/dbraw/zinc/17/02/74/512170274.db2.gz CTZDJPRDYRFRFK-AWEZNQCLSA-N 2 2 357.483 2.788 20 30 FFEDLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c(C#N)c1C ZINC000373096397 512170279 /nfs/dbraw/zinc/17/02/79/512170279.db2.gz CTZDJPRDYRFRFK-AWEZNQCLSA-N 2 2 357.483 2.788 20 30 FFEDLP CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373499904 512363482 /nfs/dbraw/zinc/36/34/82/512363482.db2.gz BGPLLHLPVJMBMC-TZIWHRDSSA-N 2 2 368.525 2.701 20 30 FFEDLP CN(C(=O)C[C@@H](CC#N)c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373499904 512363488 /nfs/dbraw/zinc/36/34/88/512363488.db2.gz BGPLLHLPVJMBMC-TZIWHRDSSA-N 2 2 368.525 2.701 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868837 507867222 /nfs/dbraw/zinc/86/72/22/507867222.db2.gz VIIBROMOKKKAER-KAGYGMCKSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868837 507867224 /nfs/dbraw/zinc/86/72/24/507867224.db2.gz VIIBROMOKKKAER-KAGYGMCKSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868837 507867225 /nfs/dbraw/zinc/86/72/25/507867225.db2.gz VIIBROMOKKKAER-KAGYGMCKSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868837 507867227 /nfs/dbraw/zinc/86/72/27/507867227.db2.gz VIIBROMOKKKAER-KAGYGMCKSA-N 2 2 370.541 2.883 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000090003785 507900597 /nfs/dbraw/zinc/90/05/97/507900597.db2.gz NBJHPORVXLUMHL-GOEBONIOSA-N 2 2 369.469 2.783 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000090003785 507900602 /nfs/dbraw/zinc/90/06/02/507900602.db2.gz NBJHPORVXLUMHL-GOEBONIOSA-N 2 2 369.469 2.783 20 30 FFEDLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(C#N)cc1Cl ZINC000375516491 512372936 /nfs/dbraw/zinc/37/29/36/512372936.db2.gz CBIDPIFXVMYBSU-BKGUAONASA-N 2 2 357.845 2.616 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(C)C ZINC000076073551 508156217 /nfs/dbraw/zinc/15/62/17/508156217.db2.gz XNHKZVDBWOEIHQ-QZTJIDSGSA-N 2 2 359.518 2.997 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152372808 508433914 /nfs/dbraw/zinc/43/39/14/508433914.db2.gz HZQWLASENRUZJL-DLBZAZTESA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152372808 508433915 /nfs/dbraw/zinc/43/39/15/508433915.db2.gz HZQWLASENRUZJL-DLBZAZTESA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152372808 508433916 /nfs/dbraw/zinc/43/39/16/508433916.db2.gz HZQWLASENRUZJL-DLBZAZTESA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152372808 508433917 /nfs/dbraw/zinc/43/39/17/508433917.db2.gz HZQWLASENRUZJL-DLBZAZTESA-N 2 2 360.477 2.734 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000157591985 508585017 /nfs/dbraw/zinc/58/50/17/508585017.db2.gz WUKMHWUPVUBKLV-ROUUACIJSA-N 2 2 356.514 2.557 20 30 FFEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC#Cc3ccccc3Cl)CC2)CC1 ZINC000135188726 508590253 /nfs/dbraw/zinc/59/02/53/508590253.db2.gz USTFOLWRJNGBHQ-UHFFFAOYSA-N 2 2 373.928 2.568 20 30 FFEDLP NC(=[NH+]OCc1cccc(Cl)n1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000131465069 508935632 /nfs/dbraw/zinc/93/56/32/508935632.db2.gz GLLHWEMSKUILEY-UHFFFAOYSA-N 2 2 374.872 2.529 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC1 ZINC000264395773 509502693 /nfs/dbraw/zinc/50/26/93/509502693.db2.gz LCQPXNCRWHGPQT-GOSISDBHSA-N 2 2 371.460 2.598 20 30 FFEDLP CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245722208 510107378 /nfs/dbraw/zinc/10/73/78/510107378.db2.gz QDUDWJYKHVTUGJ-LEWJYISDSA-N 2 2 368.525 2.967 20 30 FFEDLP CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245722208 510107385 /nfs/dbraw/zinc/10/73/85/510107385.db2.gz QDUDWJYKHVTUGJ-LEWJYISDSA-N 2 2 368.525 2.967 20 30 FFEDLP CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245720940 510107919 /nfs/dbraw/zinc/10/79/19/510107919.db2.gz PSQSWTQVIKRIRH-LEWJYISDSA-N 2 2 368.525 2.967 20 30 FFEDLP CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245720940 510107921 /nfs/dbraw/zinc/10/79/21/510107921.db2.gz PSQSWTQVIKRIRH-LEWJYISDSA-N 2 2 368.525 2.967 20 30 FFEDLP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652027 510281378 /nfs/dbraw/zinc/28/13/78/510281378.db2.gz KYEYJXMQIWTBJX-SFHVURJKSA-N 2 2 369.513 2.809 20 30 FFEDLP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652027 510281390 /nfs/dbraw/zinc/28/13/90/510281390.db2.gz KYEYJXMQIWTBJX-SFHVURJKSA-N 2 2 369.513 2.809 20 30 FFEDLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000269190859 510282679 /nfs/dbraw/zinc/28/26/79/510282679.db2.gz PWPUOBITRVNOCI-UHFFFAOYSA-N 2 2 357.483 2.656 20 30 FFEDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000269190859 510282681 /nfs/dbraw/zinc/28/26/81/510282681.db2.gz PWPUOBITRVNOCI-UHFFFAOYSA-N 2 2 357.483 2.656 20 30 FFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)c1cc2ccccc2o1 ZINC000262767422 510404144 /nfs/dbraw/zinc/40/41/44/510404144.db2.gz HSZCQOQHIHRVBI-ZDUSSCGKSA-N 2 2 354.458 2.659 20 30 FFEDLP COc1ccc(C#N)cc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188319709 510707873 /nfs/dbraw/zinc/70/78/73/510707873.db2.gz GFKJSRVWLYPDIZ-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C#N)cc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188319709 510707879 /nfs/dbraw/zinc/70/78/79/510707879.db2.gz GFKJSRVWLYPDIZ-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188319709 510707885 /nfs/dbraw/zinc/70/78/85/510707885.db2.gz GFKJSRVWLYPDIZ-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188319709 510707887 /nfs/dbraw/zinc/70/78/87/510707887.db2.gz GFKJSRVWLYPDIZ-JOCHJYFZSA-N 2 2 365.477 2.636 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246994465 510788642 /nfs/dbraw/zinc/78/86/42/510788642.db2.gz ICYLVHYYBKYJCQ-ICSRJNTNSA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246994465 510788650 /nfs/dbraw/zinc/78/86/50/510788650.db2.gz ICYLVHYYBKYJCQ-ICSRJNTNSA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246994465 510788653 /nfs/dbraw/zinc/78/86/53/510788653.db2.gz ICYLVHYYBKYJCQ-ICSRJNTNSA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246994465 510788661 /nfs/dbraw/zinc/78/86/61/510788661.db2.gz ICYLVHYYBKYJCQ-ICSRJNTNSA-N 2 2 356.514 2.733 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000247737395 510869279 /nfs/dbraw/zinc/86/92/79/510869279.db2.gz NBLRMHVKYXIKQY-OALUTQOASA-N 2 2 363.465 2.760 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000247737395 510869280 /nfs/dbraw/zinc/86/92/80/510869280.db2.gz NBLRMHVKYXIKQY-OALUTQOASA-N 2 2 363.465 2.760 20 30 FFEDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC000330114596 510919385 /nfs/dbraw/zinc/91/93/85/510919385.db2.gz FAECHHWGOGMOQX-IEBWSBKVSA-N 2 2 353.470 2.702 20 30 FFEDLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC[C@H]21 ZINC000330114596 510919395 /nfs/dbraw/zinc/91/93/95/510919395.db2.gz FAECHHWGOGMOQX-IEBWSBKVSA-N 2 2 353.470 2.702 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282597751 511040490 /nfs/dbraw/zinc/04/04/90/511040490.db2.gz XPTRBLCEVFNQGN-DENIHFKCSA-N 2 2 370.541 2.931 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282597751 511040493 /nfs/dbraw/zinc/04/04/93/511040493.db2.gz XPTRBLCEVFNQGN-DENIHFKCSA-N 2 2 370.541 2.931 20 30 FFEDLP O=C(C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000328672484 511913299 /nfs/dbraw/zinc/91/32/99/511913299.db2.gz IEHRETKAYWNYQM-IBGZPJMESA-N 2 2 370.497 2.973 20 30 FFEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000328841739 511938828 /nfs/dbraw/zinc/93/88/28/511938828.db2.gz PRDLUPRUYHHJEH-UHFFFAOYSA-N 2 2 353.470 2.578 20 30 FFEDLP C[NH+]1CCC(C)(C[NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329518915 512062303 /nfs/dbraw/zinc/06/23/03/512062303.db2.gz PXJLFKXSCUEYLH-HNNXBMFYSA-N 2 2 361.534 2.731 20 30 FFEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C1([NH+]3CCOCC3)CCCC1)C2 ZINC000329543277 512067971 /nfs/dbraw/zinc/06/79/71/512067971.db2.gz YFXJGNIIHYRFCN-WBVHZDCISA-N 2 2 360.502 2.744 20 30 FFEDLP CC[NH+]1CCC(CCNC(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000329645180 512081826 /nfs/dbraw/zinc/08/18/26/512081826.db2.gz JHVHDVYLCYFJHU-UHFFFAOYSA-N 2 2 359.518 2.548 20 30 FFEDLP C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411141975 512487282 /nfs/dbraw/zinc/48/72/82/512487282.db2.gz WHNVXKUIWIWGTG-KRWDZBQOSA-N 2 2 370.522 2.868 20 30 FFEDLP C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411141975 512487286 /nfs/dbraw/zinc/48/72/86/512487286.db2.gz WHNVXKUIWIWGTG-KRWDZBQOSA-N 2 2 370.522 2.868 20 30 FFEDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000419286867 513764322 /nfs/dbraw/zinc/76/43/22/513764322.db2.gz GCXIJZCOFJQDDG-KRWDZBQOSA-N 2 2 354.498 2.928 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000424296249 514449073 /nfs/dbraw/zinc/44/90/73/514449073.db2.gz OBFQJEOSAYOKOG-SESVDKBCSA-N 2 2 351.498 2.854 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000424296249 514449074 /nfs/dbraw/zinc/44/90/74/514449074.db2.gz OBFQJEOSAYOKOG-SESVDKBCSA-N 2 2 351.498 2.854 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475742419 514788218 /nfs/dbraw/zinc/78/82/18/514788218.db2.gz PTVAZKVZSSSLQZ-KNQAVFIVSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475742419 514788224 /nfs/dbraw/zinc/78/82/24/514788224.db2.gz PTVAZKVZSSSLQZ-KNQAVFIVSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475742419 514788234 /nfs/dbraw/zinc/78/82/34/514788234.db2.gz PTVAZKVZSSSLQZ-KNQAVFIVSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475742419 514788245 /nfs/dbraw/zinc/78/82/45/514788245.db2.gz PTVAZKVZSSSLQZ-KNQAVFIVSA-N 2 2 368.525 2.735 20 30 FFEDLP CCn1cc[nH+]c1[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000459123433 515335801 /nfs/dbraw/zinc/33/58/01/515335801.db2.gz UCBQNWPRBVOWMU-INIZCTEOSA-N 2 2 368.485 2.609 20 30 FFEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512252014 516212259 /nfs/dbraw/zinc/21/22/59/516212259.db2.gz JDQDZBULLLROGB-JOCHJYFZSA-N 2 2 353.510 2.785 20 30 FFEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512252014 516212266 /nfs/dbraw/zinc/21/22/66/516212266.db2.gz JDQDZBULLLROGB-JOCHJYFZSA-N 2 2 353.510 2.785 20 30 FFEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512252014 516212272 /nfs/dbraw/zinc/21/22/72/516212272.db2.gz JDQDZBULLLROGB-JOCHJYFZSA-N 2 2 353.510 2.785 20 30 FFEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512252014 516212284 /nfs/dbraw/zinc/21/22/84/516212284.db2.gz JDQDZBULLLROGB-JOCHJYFZSA-N 2 2 353.510 2.785 20 30 FFEDLP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000484078950 516291974 /nfs/dbraw/zinc/29/19/74/516291974.db2.gz LPJWHYDJGCSGGD-UHFFFAOYSA-N 2 2 363.505 2.801 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC(=O)Nc3ccccn3)CC2)cc1 ZINC000543770182 516421156 /nfs/dbraw/zinc/42/11/56/516421156.db2.gz KMQIJUUZJKESPB-UHFFFAOYSA-N 2 2 363.465 2.536 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)C2)s1 ZINC000518007890 516519548 /nfs/dbraw/zinc/51/95/48/516519548.db2.gz PCZLSHOFBDEPOB-JXFKEZNVSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)C2)s1 ZINC000518007890 516519556 /nfs/dbraw/zinc/51/95/56/516519556.db2.gz PCZLSHOFBDEPOB-JXFKEZNVSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@@](C)(C#N)C3CC3)C2)s1 ZINC000518007890 516519563 /nfs/dbraw/zinc/51/95/63/516519563.db2.gz PCZLSHOFBDEPOB-JXFKEZNVSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)N[C@@](C)(C#N)C3CC3)C2)s1 ZINC000518007890 516519571 /nfs/dbraw/zinc/51/95/71/516519571.db2.gz PCZLSHOFBDEPOB-JXFKEZNVSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)C2)s1 ZINC000518007893 516519675 /nfs/dbraw/zinc/51/96/75/516519675.db2.gz PCZLSHOFBDEPOB-UZLBHIALSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)C2)s1 ZINC000518007893 516519686 /nfs/dbraw/zinc/51/96/86/516519686.db2.gz PCZLSHOFBDEPOB-UZLBHIALSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@](C)(C#N)C3CC3)C2)s1 ZINC000518007893 516519696 /nfs/dbraw/zinc/51/96/96/516519696.db2.gz PCZLSHOFBDEPOB-UZLBHIALSA-N 2 2 374.554 2.619 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)N[C@@](C)(C#N)C3CC3)C2)s1 ZINC000518007893 516519709 /nfs/dbraw/zinc/51/97/09/516519709.db2.gz PCZLSHOFBDEPOB-UZLBHIALSA-N 2 2 374.554 2.619 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068489 516618122 /nfs/dbraw/zinc/61/81/22/516618122.db2.gz FFJFJGLRZAKTAN-IRXDYDNUSA-N 2 2 351.454 2.545 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068489 516618136 /nfs/dbraw/zinc/61/81/36/516618136.db2.gz FFJFJGLRZAKTAN-IRXDYDNUSA-N 2 2 351.454 2.545 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000518361627 516626988 /nfs/dbraw/zinc/62/69/88/516626988.db2.gz DBJYUOMZCMZKKA-IBGZPJMESA-N 2 2 355.482 2.520 20 30 FFEDLP Cc1cc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)c(C#N)c[nH+]1 ZINC000515468540 517364269 /nfs/dbraw/zinc/36/42/69/517364269.db2.gz HCTDXVCHPUFDDK-UHFFFAOYSA-N 2 2 354.429 2.778 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866291 517647875 /nfs/dbraw/zinc/64/78/75/517647875.db2.gz YCEKLGRKDLPORD-TZMCWYRMSA-N 2 2 357.845 2.762 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866291 517647887 /nfs/dbraw/zinc/64/78/87/517647887.db2.gz YCEKLGRKDLPORD-TZMCWYRMSA-N 2 2 357.845 2.762 20 30 FFEDLP C=C(CC)CSc1nnc([C@@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000539118301 517922863 /nfs/dbraw/zinc/92/28/63/517922863.db2.gz YBQIJMMIUDJNTE-MRXNPFEDSA-N 2 2 367.563 2.681 20 30 FFEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000517126449 518034119 /nfs/dbraw/zinc/03/41/19/518034119.db2.gz FAQUBDPDADCNRT-KRWDZBQOSA-N 2 2 364.449 2.591 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000539499083 518077670 /nfs/dbraw/zinc/07/76/70/518077670.db2.gz DYEUMGBFIHRHKE-NRFANRHFSA-N 2 2 365.477 2.552 20 30 FFEDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539608620 518119099 /nfs/dbraw/zinc/11/90/99/518119099.db2.gz VGJKJJQQGCKUMJ-KRWDZBQOSA-N 3 2 367.472 2.955 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000590855228 519404017 /nfs/dbraw/zinc/40/40/17/519404017.db2.gz KQDZJTJJQZFQJT-OALUTQOASA-N 2 2 359.518 2.928 20 30 FFEDLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000594956970 520228147 /nfs/dbraw/zinc/22/81/47/520228147.db2.gz KVZVHJYFSPTOIP-OAQYLSRUSA-N 2 2 357.498 2.554 20 30 FFEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000600714387 520415858 /nfs/dbraw/zinc/41/58/58/520415858.db2.gz LSQBUPVFUBFTDE-NHCUHLMSSA-N 2 2 365.477 2.725 20 30 FFEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499916 520422530 /nfs/dbraw/zinc/42/25/30/520422530.db2.gz CYYGROQSMWOOKL-IRXDYDNUSA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499916 520422535 /nfs/dbraw/zinc/42/25/35/520422535.db2.gz CYYGROQSMWOOKL-IRXDYDNUSA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499916 520422539 /nfs/dbraw/zinc/42/25/39/520422539.db2.gz CYYGROQSMWOOKL-IRXDYDNUSA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499916 520422542 /nfs/dbraw/zinc/42/25/42/520422542.db2.gz CYYGROQSMWOOKL-IRXDYDNUSA-N 2 2 352.486 2.687 20 30 FFEDLP Cc1cn2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2[nH+]1 ZINC000602069796 521122812 /nfs/dbraw/zinc/12/28/12/521122812.db2.gz DAVZDCRNOIUHLN-UHFFFAOYSA-N 2 2 361.449 2.718 20 30 FFEDLP Cc1cn2ccc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc2[nH+]1 ZINC000602176579 521189779 /nfs/dbraw/zinc/18/97/79/521189779.db2.gz KPZRSQPQWZHCTD-UHFFFAOYSA-N 2 2 373.460 2.909 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000593967968 521320048 /nfs/dbraw/zinc/32/00/48/521320048.db2.gz DCTUDRFWEUGUJK-HNNXBMFYSA-N 2 2 371.872 2.810 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000593967968 521320060 /nfs/dbraw/zinc/32/00/60/521320060.db2.gz DCTUDRFWEUGUJK-HNNXBMFYSA-N 2 2 371.872 2.810 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619722904 521839644 /nfs/dbraw/zinc/83/96/44/521839644.db2.gz WNUSFCQROPJHOK-LLGFUMIMSA-N 2 2 371.529 2.842 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619722904 521839650 /nfs/dbraw/zinc/83/96/50/521839650.db2.gz WNUSFCQROPJHOK-LLGFUMIMSA-N 2 2 371.529 2.842 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)[C@@H](C)C1 ZINC000877030033 732314526 /nfs/dbraw/zinc/31/45/26/732314526.db2.gz WLFRFFHKXXEXFZ-WMLDXEAASA-N 2 2 350.894 2.833 20 30 FFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)[C@@H](C)C1 ZINC000877030033 732314531 /nfs/dbraw/zinc/31/45/31/732314531.db2.gz WLFRFFHKXXEXFZ-WMLDXEAASA-N 2 2 350.894 2.833 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000730096621 734614890 /nfs/dbraw/zinc/61/48/90/734614890.db2.gz XQGBSCNZYBVVSB-ROUUACIJSA-N 2 2 359.539 2.735 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000730096621 734614895 /nfs/dbraw/zinc/61/48/95/734614895.db2.gz XQGBSCNZYBVVSB-ROUUACIJSA-N 2 2 359.539 2.735 20 30 FFEDLP CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NCCC[NH+]1CCOCC1 ZINC000811648683 741545635 /nfs/dbraw/zinc/54/56/35/741545635.db2.gz WZNGXUIKMGPVQV-UHFFFAOYSA-N 2 2 359.301 2.705 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004466307 742232519 /nfs/dbraw/zinc/23/25/19/742232519.db2.gz UMCDFTCMVOOWOJ-JFIYKMOQSA-N 2 2 362.905 2.969 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004466307 742232522 /nfs/dbraw/zinc/23/25/22/742232522.db2.gz UMCDFTCMVOOWOJ-JFIYKMOQSA-N 2 2 362.905 2.969 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004466307 742232525 /nfs/dbraw/zinc/23/25/25/742232525.db2.gz UMCDFTCMVOOWOJ-JFIYKMOQSA-N 2 2 362.905 2.969 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004466307 742232529 /nfs/dbraw/zinc/23/25/29/742232529.db2.gz UMCDFTCMVOOWOJ-JFIYKMOQSA-N 2 2 362.905 2.969 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001105071000 971455127 /nfs/dbraw/zinc/45/51/27/971455127.db2.gz IFRZJKFWGKVHHR-RLLQIKCJSA-N 2 2 358.530 2.725 20 30 FFEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001112498447 963008745 /nfs/dbraw/zinc/00/87/45/963008745.db2.gz JWECQNWVIQNRJY-UGKGYDQZSA-N 2 2 362.477 2.728 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001104366954 964296045 /nfs/dbraw/zinc/29/60/45/964296045.db2.gz ATOJVSOVONGRGP-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001104366954 964296049 /nfs/dbraw/zinc/29/60/49/964296049.db2.gz ATOJVSOVONGRGP-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP O=C(N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001269990841 964517246 /nfs/dbraw/zinc/51/72/46/964517246.db2.gz DCJIVLHFQSPZFY-UAFMIMERSA-N 2 2 362.477 2.582 20 30 FFEDLP O=C(N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001269990841 964517252 /nfs/dbraw/zinc/51/72/52/964517252.db2.gz DCJIVLHFQSPZFY-UAFMIMERSA-N 2 2 362.477 2.582 20 30 FFEDLP Cc1cc(C)n([C@@H](C)CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000329073930 966616870 /nfs/dbraw/zinc/61/68/70/966616870.db2.gz PAXTYKFORYXFQI-KRWDZBQOSA-N 2 2 361.534 2.966 20 30 FFEDLP C=CC[C@@]1(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000662745714 973912434 /nfs/dbraw/zinc/91/24/34/973912434.db2.gz WHBHOLWLOHVCSS-NRFANRHFSA-N 2 2 356.514 2.845 20 30 FFEDLP N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)c1 ZINC001075948689 975404709 /nfs/dbraw/zinc/40/47/09/975404709.db2.gz CIDPRBIREWWSFD-LAUBAEHRSA-N 2 2 371.444 2.781 20 30 FFEDLP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)c1 ZINC001075948689 975404712 /nfs/dbraw/zinc/40/47/12/975404712.db2.gz CIDPRBIREWWSFD-LAUBAEHRSA-N 2 2 371.444 2.781 20 30 FFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)cc1 ZINC001075948816 975404783 /nfs/dbraw/zinc/40/47/83/975404783.db2.gz JSRWQCZOGMIJFK-LAUBAEHRSA-N 2 2 371.444 2.781 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)cc1 ZINC001075948816 975404786 /nfs/dbraw/zinc/40/47/86/975404786.db2.gz JSRWQCZOGMIJFK-LAUBAEHRSA-N 2 2 371.444 2.781 20 30 FFEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001087456338 977808947 /nfs/dbraw/zinc/80/89/47/977808947.db2.gz QCRZONZFHCXIEY-AQNXPRMDSA-N 2 2 359.489 2.770 20 30 FFEDLP C=CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001087456338 977808960 /nfs/dbraw/zinc/80/89/60/977808960.db2.gz QCRZONZFHCXIEY-AQNXPRMDSA-N 2 2 359.489 2.770 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087456338 977808968 /nfs/dbraw/zinc/80/89/68/977808968.db2.gz QCRZONZFHCXIEY-AQNXPRMDSA-N 2 2 359.489 2.770 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087456338 977808982 /nfs/dbraw/zinc/80/89/82/977808982.db2.gz QCRZONZFHCXIEY-AQNXPRMDSA-N 2 2 359.489 2.770 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087460234 978004804 /nfs/dbraw/zinc/00/48/04/978004804.db2.gz XZBFCIUKQHRJMH-RTBURBONSA-N 2 2 356.445 2.573 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087460234 978004811 /nfs/dbraw/zinc/00/48/11/978004811.db2.gz XZBFCIUKQHRJMH-RTBURBONSA-N 2 2 356.445 2.573 20 30 FFEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC(OC(C)(C)C)CC1 ZINC000159559056 979179732 /nfs/dbraw/zinc/17/97/32/979179732.db2.gz XEUGQOIVEQMSQC-UHFFFAOYSA-N 2 2 361.534 2.617 20 30 FFEDLP N#Cc1cccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000126751231 1014749451 /nfs/dbraw/zinc/74/94/51/1014749451.db2.gz KSSGJJKFYVHGKO-UHFFFAOYSA-N 2 2 351.450 2.559 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC001107414744 984523781 /nfs/dbraw/zinc/52/37/81/984523781.db2.gz RSGOBOLJZXMQKZ-WIYYLYMNSA-N 2 2 356.514 2.699 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3cn4c([nH+]3)CCCC4)CCC[C@@H]12 ZINC001107414744 984523785 /nfs/dbraw/zinc/52/37/85/984523785.db2.gz RSGOBOLJZXMQKZ-WIYYLYMNSA-N 2 2 356.514 2.699 20 30 FFEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445187 984546863 /nfs/dbraw/zinc/54/68/63/984546863.db2.gz OATCNORKRQDFHP-SFHLNBCPSA-N 2 2 356.514 2.854 20 30 FFEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445187 984546870 /nfs/dbraw/zinc/54/68/70/984546870.db2.gz OATCNORKRQDFHP-SFHLNBCPSA-N 2 2 356.514 2.854 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001212450983 987386591 /nfs/dbraw/zinc/38/65/91/987386591.db2.gz INFUAYISQFDXPT-QZTJIDSGSA-N 2 2 364.534 2.712 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001212450983 987386597 /nfs/dbraw/zinc/38/65/97/987386597.db2.gz INFUAYISQFDXPT-QZTJIDSGSA-N 2 2 364.534 2.712 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001106491233 988278943 /nfs/dbraw/zinc/27/89/43/988278943.db2.gz GOFGNOSEODDYBY-RHSMWYFYSA-N 2 2 358.873 2.923 20 30 FFEDLP CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccccc1C#N ZINC001485784901 992019969 /nfs/dbraw/zinc/01/99/69/992019969.db2.gz GRJGCNUXNGRDRC-GUDVDZBRSA-N 2 2 365.481 2.706 20 30 FFEDLP CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccccc1C#N ZINC001485784901 992019978 /nfs/dbraw/zinc/01/99/78/992019978.db2.gz GRJGCNUXNGRDRC-GUDVDZBRSA-N 2 2 365.481 2.706 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC001081178447 993738616 /nfs/dbraw/zinc/73/86/16/993738616.db2.gz NPARJQPACTVBNM-ZIFCJYIRSA-N 2 2 350.466 2.600 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001081182170 993741307 /nfs/dbraw/zinc/74/13/07/993741307.db2.gz HOEYSRWDWBXJDB-YSTOQKLRSA-N 2 2 364.493 2.684 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084522101 996642248 /nfs/dbraw/zinc/64/22/48/996642248.db2.gz KIHSQVSWMRCWPL-WIYYLYMNSA-N 2 2 371.444 2.552 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084522101 996642251 /nfs/dbraw/zinc/64/22/51/996642251.db2.gz KIHSQVSWMRCWPL-WIYYLYMNSA-N 2 2 371.444 2.552 20 30 FFEDLP N#Cc1c2c(cn(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)c1=O)CCC2 ZINC000766633153 1000033286 /nfs/dbraw/zinc/03/32/86/1000033286.db2.gz PRDBYZXEOWDZBM-UHFFFAOYSA-N 2 2 368.525 2.754 20 30 FFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCN2CCCc3ccccc32)cc1 ZINC000767936503 1000162533 /nfs/dbraw/zinc/16/25/33/1000162533.db2.gz RPAGLPZAYCUPSM-UHFFFAOYSA-N 2 2 352.482 2.838 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001109308312 1000253961 /nfs/dbraw/zinc/25/39/61/1000253961.db2.gz UIMJHFASQNZAAA-NQYYFHDYSA-N 2 2 356.514 2.838 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001109308312 1000253964 /nfs/dbraw/zinc/25/39/64/1000253964.db2.gz UIMJHFASQNZAAA-NQYYFHDYSA-N 2 2 356.514 2.838 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(F)c(C#N)c1 ZINC001109466251 1000514669 /nfs/dbraw/zinc/51/46/69/1000514669.db2.gz RTNYUOUFAODHLH-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(F)c(C#N)c1 ZINC001109466251 1000514672 /nfs/dbraw/zinc/51/46/72/1000514672.db2.gz RTNYUOUFAODHLH-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109466251 1000514677 /nfs/dbraw/zinc/51/46/77/1000514677.db2.gz RTNYUOUFAODHLH-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001109466251 1000514682 /nfs/dbraw/zinc/51/46/82/1000514682.db2.gz RTNYUOUFAODHLH-NEWSRXKRSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183831762 1002404173 /nfs/dbraw/zinc/40/41/73/1002404173.db2.gz PPAWWWOAAQINHE-OAQYLSRUSA-N 2 2 368.525 2.855 20 30 FFEDLP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183831762 1002404178 /nfs/dbraw/zinc/40/41/78/1002404178.db2.gz PPAWWWOAAQINHE-OAQYLSRUSA-N 2 2 368.525 2.855 20 30 FFEDLP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1OC ZINC001198908102 1004790508 /nfs/dbraw/zinc/79/05/08/1004790508.db2.gz AVUHWJLAUVLQEL-KURKYZTESA-N 2 2 368.481 2.555 20 30 FFEDLP CCCCCCC[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001201762536 1005263225 /nfs/dbraw/zinc/26/32/25/1005263225.db2.gz OIKJEGGTESTXSI-LJQANCHMSA-N 2 2 363.550 2.797 20 30 FFEDLP CCCCCCC[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001201762536 1005263228 /nfs/dbraw/zinc/26/32/28/1005263228.db2.gz OIKJEGGTESTXSI-LJQANCHMSA-N 2 2 363.550 2.797 20 30 FFEDLP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001489093485 1005418518 /nfs/dbraw/zinc/41/85/18/1005418518.db2.gz NXKPCURXYXCQFB-NHCUHLMSSA-N 2 2 364.493 2.661 20 30 FFEDLP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001489093485 1005418519 /nfs/dbraw/zinc/41/85/19/1005418519.db2.gz NXKPCURXYXCQFB-NHCUHLMSSA-N 2 2 364.493 2.661 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001110693549 1007033243 /nfs/dbraw/zinc/03/32/43/1007033243.db2.gz NHWIJIPPYMLTPV-LMCOJAPRSA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F)[NH+](C)C ZINC001110693549 1007033255 /nfs/dbraw/zinc/03/32/55/1007033255.db2.gz NHWIJIPPYMLTPV-LMCOJAPRSA-N 2 2 372.488 2.505 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CCC([NH+](C)C)CC2)CC1=O ZINC000817707997 1007712036 /nfs/dbraw/zinc/71/20/36/1007712036.db2.gz QVTUIVLMYUWZLF-UHFFFAOYSA-N 2 2 367.497 2.519 20 30 FFEDLP N#Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752698 1009116707 /nfs/dbraw/zinc/11/67/07/1009116707.db2.gz ZAUMUVQAOHAYGX-RTBURBONSA-N 2 2 365.481 2.851 20 30 FFEDLP N#Cc1ccccc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752698 1009116719 /nfs/dbraw/zinc/11/67/19/1009116719.db2.gz ZAUMUVQAOHAYGX-RTBURBONSA-N 2 2 365.481 2.851 20 30 FFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000303708988 1012397581 /nfs/dbraw/zinc/39/75/81/1012397581.db2.gz NLUZBUGQBQMHDF-HXUWFJFHSA-N 2 2 369.488 2.565 20 30 FFEDLP COc1cccc([C@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)[NH+](C)C)c1 ZINC000303783106 1012428289 /nfs/dbraw/zinc/42/82/89/1012428289.db2.gz NXEIOSJERIZEBB-SFHVURJKSA-N 2 2 372.469 2.742 20 30 FFEDLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cc(C#N)ccn3)cc2)CC1 ZINC000902750137 1020449346 /nfs/dbraw/zinc/44/93/46/1020449346.db2.gz ATLVDJUBYJXAFB-GOSISDBHSA-N 2 2 363.509 2.942 20 30 FFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001098148591 1020675559 /nfs/dbraw/zinc/67/55/59/1020675559.db2.gz PAIIVJVKFBUJNV-LMMKCTJWSA-N 2 2 351.454 2.569 20 30 FFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001098148591 1020675563 /nfs/dbraw/zinc/67/55/63/1020675563.db2.gz PAIIVJVKFBUJNV-LMMKCTJWSA-N 2 2 351.454 2.569 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059454 1021687887 /nfs/dbraw/zinc/68/78/87/1021687887.db2.gz IZMXQDFXHBUFPP-LNLFQRSKSA-N 2 2 353.938 2.974 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099059454 1021687889 /nfs/dbraw/zinc/68/78/89/1021687889.db2.gz IZMXQDFXHBUFPP-LNLFQRSKSA-N 2 2 353.938 2.974 20 30 FFEDLP C[NH+](C)CC[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccnc1 ZINC001120276857 1023290902 /nfs/dbraw/zinc/29/09/02/1023290902.db2.gz AQZFGDYVSMPTKD-IBGZPJMESA-N 2 2 351.454 2.564 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122487623 1023301127 /nfs/dbraw/zinc/30/11/27/1023301127.db2.gz DOXIFHGNUHUWMK-UHFFFAOYSA-N 2 2 372.561 2.905 20 30 FFEDLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CCOCC1)c1ccccc1 ZINC001120492887 1023340604 /nfs/dbraw/zinc/34/06/04/1023340604.db2.gz RHLXGEDVEBKBMX-HKUYNNGSSA-N 2 2 359.514 2.777 20 30 FFEDLP N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC001120591517 1023374644 /nfs/dbraw/zinc/37/46/44/1023374644.db2.gz ZNBKBJBNSGFFBU-JOCHJYFZSA-N 2 2 360.461 2.718 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001103748769 1028133460 /nfs/dbraw/zinc/13/34/60/1028133460.db2.gz PDYWBRYPXNSCCG-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCc3sccc3C2)C1 ZINC001103748769 1028133466 /nfs/dbraw/zinc/13/34/66/1028133466.db2.gz PDYWBRYPXNSCCG-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001103748769 1028133482 /nfs/dbraw/zinc/13/34/82/1028133482.db2.gz PDYWBRYPXNSCCG-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001103748769 1028133493 /nfs/dbraw/zinc/13/34/93/1028133493.db2.gz PDYWBRYPXNSCCG-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001111923940 1029748984 /nfs/dbraw/zinc/74/89/84/1029748984.db2.gz GRJWARWZNXRXTG-UWJYYQICSA-N 2 2 365.481 2.818 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001111923940 1029748991 /nfs/dbraw/zinc/74/89/91/1029748991.db2.gz GRJWARWZNXRXTG-UWJYYQICSA-N 2 2 365.481 2.818 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001112176945 1030151808 /nfs/dbraw/zinc/15/18/08/1030151808.db2.gz HMSLEUMYEJOSOA-BPLDGKMQSA-N 2 2 358.408 2.533 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112176945 1030151812 /nfs/dbraw/zinc/15/18/12/1030151812.db2.gz HMSLEUMYEJOSOA-BPLDGKMQSA-N 2 2 358.408 2.533 20 30 FFEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001205002059 1031484757 /nfs/dbraw/zinc/48/47/57/1031484757.db2.gz YKQHQWHKICNOPK-TZIWHRDSSA-N 2 2 357.498 2.667 20 30 FFEDLP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC001205002059 1031484766 /nfs/dbraw/zinc/48/47/66/1031484766.db2.gz YKQHQWHKICNOPK-TZIWHRDSSA-N 2 2 357.498 2.667 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[N@H+]3CCc4[nH+]cc(Cn5cccn5)n4CC3)c2c1 ZINC001140113997 1035346649 /nfs/dbraw/zinc/34/66/49/1035346649.db2.gz OBJGIEMYQPXSDS-UHFFFAOYSA-N 2 2 371.448 2.539 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3CCc4[nH+]cc(Cn5cccn5)n4CC3)c2c1 ZINC001140113997 1035346654 /nfs/dbraw/zinc/34/66/54/1035346654.db2.gz OBJGIEMYQPXSDS-UHFFFAOYSA-N 2 2 371.448 2.539 20 30 FFEDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)cc2)CC1 ZINC001140302721 1035425698 /nfs/dbraw/zinc/42/56/98/1035425698.db2.gz YOFLAYXCVIWMLC-IBGZPJMESA-N 2 2 357.523 2.603 20 30 FFEDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)cc2)CC1 ZINC001140302721 1035425701 /nfs/dbraw/zinc/42/57/01/1035425701.db2.gz YOFLAYXCVIWMLC-IBGZPJMESA-N 2 2 357.523 2.603 20 30 FFEDLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC001229300595 1036602908 /nfs/dbraw/zinc/60/29/08/1036602908.db2.gz DGVCTXLMRVYONM-QZTJIDSGSA-N 2 2 370.884 2.674 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001246306284 1039306712 /nfs/dbraw/zinc/30/67/12/1039306712.db2.gz VEDSYHCQSIBJJY-NRFANRHFSA-N 3 2 373.541 2.510 20 30 FFEDLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC001254677047 1040871085 /nfs/dbraw/zinc/87/10/85/1040871085.db2.gz PWEQRFMPWDEWIG-NUJGCVRESA-N 2 2 362.518 2.742 20 30 FFEDLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC001254677047 1040871094 /nfs/dbraw/zinc/87/10/94/1040871094.db2.gz PWEQRFMPWDEWIG-NUJGCVRESA-N 2 2 362.518 2.742 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001263342404 1042250552 /nfs/dbraw/zinc/25/05/52/1042250552.db2.gz SIHMUXLPRGVMSF-UHFFFAOYSA-N 2 2 358.534 2.515 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001264064951 1042608917 /nfs/dbraw/zinc/60/89/17/1042608917.db2.gz IBNWEPKQJCOJKV-RYGJVYDSSA-N 2 2 365.481 2.629 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001264064951 1042608918 /nfs/dbraw/zinc/60/89/18/1042608918.db2.gz IBNWEPKQJCOJKV-RYGJVYDSSA-N 2 2 365.481 2.629 20 30 FFEDLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC001237465939 1043182139 /nfs/dbraw/zinc/18/21/39/1043182139.db2.gz WKXCXVWOMONYLZ-GIVPXCGWSA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC001237465939 1043182148 /nfs/dbraw/zinc/18/21/48/1043182148.db2.gz WKXCXVWOMONYLZ-GIVPXCGWSA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC001237465939 1043182151 /nfs/dbraw/zinc/18/21/51/1043182151.db2.gz WKXCXVWOMONYLZ-GIVPXCGWSA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccnc(C#N)c3)CC[C@@H]21 ZINC001237465939 1043182155 /nfs/dbraw/zinc/18/21/55/1043182155.db2.gz WKXCXVWOMONYLZ-GIVPXCGWSA-N 2 2 364.497 2.523 20 30 FFEDLP C[C@@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001330835035 1049353919 /nfs/dbraw/zinc/35/39/19/1049353919.db2.gz IOGFJVOVQLUPER-IAOVAPTHSA-N 2 2 369.444 2.599 20 30 FFEDLP C[C@@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001330835035 1049353930 /nfs/dbraw/zinc/35/39/30/1049353930.db2.gz IOGFJVOVQLUPER-IAOVAPTHSA-N 2 2 369.444 2.599 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001340727998 1051086758 /nfs/dbraw/zinc/08/67/58/1051086758.db2.gz DPTICRAEHUYOEH-UHFFFAOYSA-N 2 2 358.534 2.515 20 30 FFEDLP C=CCn1c([C@H]2C[C@H]2C)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001339580414 1056605648 /nfs/dbraw/zinc/60/56/48/1056605648.db2.gz GKJNVCNEHNRQSO-MJGOQNOKSA-N 2 2 372.561 2.584 20 30 FFEDLP C=CCn1c([C@H]2C[C@H]2C)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001339580414 1056605658 /nfs/dbraw/zinc/60/56/58/1056605658.db2.gz GKJNVCNEHNRQSO-MJGOQNOKSA-N 2 2 372.561 2.584 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)CC1 ZINC000544490945 1061134623 /nfs/dbraw/zinc/13/46/23/1061134623.db2.gz JDXZHRJPMWPGRX-UHFFFAOYSA-N 2 2 365.481 2.777 20 30 FFEDLP Cn1c[nH+]cc1C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC001460958523 1061165229 /nfs/dbraw/zinc/16/52/29/1061165229.db2.gz FZXWJFSVEIGEPE-IBGZPJMESA-N 2 2 363.465 2.667 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000278518385 256321591 /nfs/dbraw/zinc/32/15/91/256321591.db2.gz CGOHJAMJFDCJKR-GOSISDBHSA-N 2 2 367.449 2.545 20 30 FFEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000333023168 258245623 /nfs/dbraw/zinc/24/56/23/258245623.db2.gz JXEUMPGDRYYDIU-UHFFFAOYSA-N 2 2 363.465 2.909 20 30 FFEDLP C=CCc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc(OC)c1O ZINC000093147206 508124395 /nfs/dbraw/zinc/12/43/95/508124395.db2.gz QTVDWWWFGWGNMY-HXUWFJFHSA-N 2 2 373.541 2.731 20 30 FFEDLP C=CCc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc(OC)c1O ZINC000093147206 508124397 /nfs/dbraw/zinc/12/43/97/508124397.db2.gz QTVDWWWFGWGNMY-HXUWFJFHSA-N 2 2 373.541 2.731 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000106322474 508399106 /nfs/dbraw/zinc/39/91/06/508399106.db2.gz LXQNWUMTKIVJFZ-UHFFFAOYSA-N 2 2 372.513 2.681 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C(N)=O)cc1 ZINC000115598747 508416804 /nfs/dbraw/zinc/41/68/04/508416804.db2.gz AKWVJJPNYPUNQP-APWZRJJASA-N 2 2 368.506 2.648 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C(N)=O)cc1 ZINC000115598747 508416809 /nfs/dbraw/zinc/41/68/09/508416809.db2.gz AKWVJJPNYPUNQP-APWZRJJASA-N 2 2 368.506 2.648 20 30 FFEDLP Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000129483944 508731272 /nfs/dbraw/zinc/73/12/72/508731272.db2.gz CNBLKGSXQJUESJ-MLGOLLRUSA-N 2 2 357.483 2.955 20 30 FFEDLP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000129483944 508731277 /nfs/dbraw/zinc/73/12/77/508731277.db2.gz CNBLKGSXQJUESJ-MLGOLLRUSA-N 2 2 357.483 2.955 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000124484541 508839439 /nfs/dbraw/zinc/83/94/39/508839439.db2.gz KKCGKCSTLZKGCQ-UHFFFAOYSA-N 2 2 360.889 2.500 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266891488 509243748 /nfs/dbraw/zinc/24/37/48/509243748.db2.gz CUWBLENUAWMBQP-CQSZACIVSA-N 2 2 355.467 2.843 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266891488 509243757 /nfs/dbraw/zinc/24/37/57/509243757.db2.gz CUWBLENUAWMBQP-CQSZACIVSA-N 2 2 355.467 2.843 20 30 FFEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000191975453 509272620 /nfs/dbraw/zinc/27/26/20/509272620.db2.gz WEUNMHSGDSQXGV-HSZRJFAPSA-N 2 2 374.532 2.967 20 30 FFEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000191975453 509272626 /nfs/dbraw/zinc/27/26/26/509272626.db2.gz WEUNMHSGDSQXGV-HSZRJFAPSA-N 2 2 374.532 2.967 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000264404157 509507115 /nfs/dbraw/zinc/50/71/15/509507115.db2.gz QZVMOLJEZWXERI-UHFFFAOYSA-N 2 2 371.529 2.912 20 30 FFEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000180039017 509720724 /nfs/dbraw/zinc/72/07/24/509720724.db2.gz OOUHLPSCOLWJTQ-CALCHBBNSA-N 2 2 367.497 2.548 20 30 FFEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000180039017 509720735 /nfs/dbraw/zinc/72/07/35/509720735.db2.gz OOUHLPSCOLWJTQ-CALCHBBNSA-N 2 2 367.497 2.548 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000245441286 509935752 /nfs/dbraw/zinc/93/57/52/509935752.db2.gz HFNSTHLZMMRSLP-HKUYNNGSSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000245441286 509935753 /nfs/dbraw/zinc/93/57/53/509935753.db2.gz HFNSTHLZMMRSLP-HKUYNNGSSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000245441286 509935755 /nfs/dbraw/zinc/93/57/55/509935755.db2.gz HFNSTHLZMMRSLP-HKUYNNGSSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1C ZINC000245441286 509935756 /nfs/dbraw/zinc/93/57/56/509935756.db2.gz HFNSTHLZMMRSLP-HKUYNNGSSA-N 2 2 356.514 2.965 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451796 509944524 /nfs/dbraw/zinc/94/45/24/509944524.db2.gz PVMJEWVLZLBJRO-XTBIFASLSA-N 2 2 362.562 2.969 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000245451796 509944527 /nfs/dbraw/zinc/94/45/27/509944527.db2.gz PVMJEWVLZLBJRO-XTBIFASLSA-N 2 2 362.562 2.969 20 30 FFEDLP C=CCCC[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000181390038 510387230 /nfs/dbraw/zinc/38/72/30/510387230.db2.gz AOKFRTVZWBIGMR-SFHVURJKSA-N 2 2 350.551 2.981 20 30 FFEDLP COc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1C#N ZINC000269529482 510448462 /nfs/dbraw/zinc/44/84/62/510448462.db2.gz VRCCSJHWIORCEN-GOSISDBHSA-N 2 2 351.454 2.714 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509954 510528966 /nfs/dbraw/zinc/52/89/66/510528966.db2.gz IFDOMAOLJDQVKB-SYNHAJSKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509954 510528970 /nfs/dbraw/zinc/52/89/70/510528970.db2.gz IFDOMAOLJDQVKB-SYNHAJSKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246509954 510528975 /nfs/dbraw/zinc/52/89/75/510528975.db2.gz IFDOMAOLJDQVKB-SYNHAJSKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246509954 510528981 /nfs/dbraw/zinc/52/89/81/510528981.db2.gz IFDOMAOLJDQVKB-SYNHAJSKSA-N 2 2 352.482 2.834 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CC[C@H](c2ccccc2)C1 ZINC000175468990 510658338 /nfs/dbraw/zinc/65/83/38/510658338.db2.gz KEXOHWXPJJVQNN-IBGZPJMESA-N 2 2 360.465 2.832 20 30 FFEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000175770841 510781526 /nfs/dbraw/zinc/78/15/26/510781526.db2.gz QAYBWPAJMGWGAF-LJQANCHMSA-N 2 2 365.443 2.769 20 30 FFEDLP Cc1nnccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000330085679 510914187 /nfs/dbraw/zinc/91/41/87/510914187.db2.gz CZNYHLMCSVMAND-OALUTQOASA-N 2 2 374.533 2.600 20 30 FFEDLP Cc1nnccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000330085679 510914192 /nfs/dbraw/zinc/91/41/92/510914192.db2.gz CZNYHLMCSVMAND-OALUTQOASA-N 2 2 374.533 2.600 20 30 FFEDLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330215387 510940339 /nfs/dbraw/zinc/94/03/39/510940339.db2.gz GYZUZLPYGNQUJH-QGZVFWFLSA-N 2 2 371.485 2.917 20 30 FFEDLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330215387 510940345 /nfs/dbraw/zinc/94/03/45/510940345.db2.gz GYZUZLPYGNQUJH-QGZVFWFLSA-N 2 2 371.485 2.917 20 30 FFEDLP CC1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000330240926 510945635 /nfs/dbraw/zinc/94/56/35/510945635.db2.gz BQHWOQWNZUHERU-SFHVURJKSA-N 2 2 367.497 2.708 20 30 FFEDLP CC1(C)CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000330240926 510945637 /nfs/dbraw/zinc/94/56/37/510945637.db2.gz BQHWOQWNZUHERU-SFHVURJKSA-N 2 2 367.497 2.708 20 30 FFEDLP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@H](C)C1 ZINC000331313161 511060229 /nfs/dbraw/zinc/06/02/29/511060229.db2.gz HUNLTNSHDMJABK-OLZOCXBDSA-N 2 2 361.412 2.522 20 30 FFEDLP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)[C@H](C)C1 ZINC000331313161 511060234 /nfs/dbraw/zinc/06/02/34/511060234.db2.gz HUNLTNSHDMJABK-OLZOCXBDSA-N 2 2 361.412 2.522 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000333320772 511202136 /nfs/dbraw/zinc/20/21/36/511202136.db2.gz PSCCMVZIHLVWKV-OAQYLSRUSA-N 2 2 366.509 2.609 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000333320772 511202139 /nfs/dbraw/zinc/20/21/39/511202139.db2.gz PSCCMVZIHLVWKV-OAQYLSRUSA-N 2 2 366.509 2.609 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000271670558 511282569 /nfs/dbraw/zinc/28/25/69/511282569.db2.gz HXFYHQKRWBVFBN-QGZVFWFLSA-N 2 2 369.469 2.549 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271670558 511282572 /nfs/dbraw/zinc/28/25/72/511282572.db2.gz HXFYHQKRWBVFBN-QGZVFWFLSA-N 2 2 369.469 2.549 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(-n4cncn4)c3)CC2)cc1 ZINC000271884069 511358124 /nfs/dbraw/zinc/35/81/24/511358124.db2.gz QIQDTZPIBIMXQW-UHFFFAOYSA-N 2 2 372.476 2.893 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000292999387 511800969 /nfs/dbraw/zinc/80/09/69/511800969.db2.gz OSEWYNWTAODEFM-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000292999387 511800978 /nfs/dbraw/zinc/80/09/78/511800978.db2.gz OSEWYNWTAODEFM-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000292999387 511800983 /nfs/dbraw/zinc/80/09/83/511800983.db2.gz OSEWYNWTAODEFM-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000292999387 511800991 /nfs/dbraw/zinc/80/09/91/511800991.db2.gz OSEWYNWTAODEFM-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281442862 511849763 /nfs/dbraw/zinc/84/97/63/511849763.db2.gz UAJXAUJIUQEHNH-GOSISDBHSA-N 2 2 372.513 2.748 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281442862 511849767 /nfs/dbraw/zinc/84/97/67/511849767.db2.gz UAJXAUJIUQEHNH-GOSISDBHSA-N 2 2 372.513 2.748 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000274788782 511942476 /nfs/dbraw/zinc/94/24/76/511942476.db2.gz BNDDCGSOYVAUPE-UTKZUKDTSA-N 2 2 362.477 2.997 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000274788782 511942483 /nfs/dbraw/zinc/94/24/83/511942483.db2.gz BNDDCGSOYVAUPE-UTKZUKDTSA-N 2 2 362.477 2.997 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC000329027726 511969948 /nfs/dbraw/zinc/96/99/48/511969948.db2.gz WBRHNQBQNAFREF-OAHLLOKOSA-N 2 2 363.506 2.813 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC000329027726 511969953 /nfs/dbraw/zinc/96/99/53/511969953.db2.gz WBRHNQBQNAFREF-OAHLLOKOSA-N 2 2 363.506 2.813 20 30 FFEDLP C[C@@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(=O)N1 ZINC000329405086 512040974 /nfs/dbraw/zinc/04/09/74/512040974.db2.gz CNFXXFJXBQRNTC-HZPDHXFCSA-N 2 2 350.507 2.648 20 30 FFEDLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000329533775 512065780 /nfs/dbraw/zinc/06/57/80/512065780.db2.gz YGKZEJTVYIKHAV-PMPSAXMXSA-N 2 2 350.507 2.994 20 30 FFEDLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000329533775 512065785 /nfs/dbraw/zinc/06/57/85/512065785.db2.gz YGKZEJTVYIKHAV-PMPSAXMXSA-N 2 2 350.507 2.994 20 30 FFEDLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000329533775 512065789 /nfs/dbraw/zinc/06/57/89/512065789.db2.gz YGKZEJTVYIKHAV-PMPSAXMXSA-N 2 2 350.507 2.994 20 30 FFEDLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000329533775 512065792 /nfs/dbraw/zinc/06/57/92/512065792.db2.gz YGKZEJTVYIKHAV-PMPSAXMXSA-N 2 2 350.507 2.994 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000329533774 512066442 /nfs/dbraw/zinc/06/64/42/512066442.db2.gz YGKZEJTVYIKHAV-OAGGEKHMSA-N 2 2 350.507 2.994 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000329533774 512066449 /nfs/dbraw/zinc/06/64/49/512066449.db2.gz YGKZEJTVYIKHAV-OAGGEKHMSA-N 2 2 350.507 2.994 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000329533774 512066452 /nfs/dbraw/zinc/06/64/52/512066452.db2.gz YGKZEJTVYIKHAV-OAGGEKHMSA-N 2 2 350.507 2.994 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000329533774 512066459 /nfs/dbraw/zinc/06/64/59/512066459.db2.gz YGKZEJTVYIKHAV-OAGGEKHMSA-N 2 2 350.507 2.994 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329692954 512087195 /nfs/dbraw/zinc/08/71/95/512087195.db2.gz AQFSJJPUYAEKCE-IXDOHACOSA-N 2 2 359.518 2.767 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329692954 512087198 /nfs/dbraw/zinc/08/71/98/512087198.db2.gz AQFSJJPUYAEKCE-IXDOHACOSA-N 2 2 359.518 2.767 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329692954 512087201 /nfs/dbraw/zinc/08/72/01/512087201.db2.gz AQFSJJPUYAEKCE-IXDOHACOSA-N 2 2 359.518 2.767 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000329692954 512087204 /nfs/dbraw/zinc/08/72/04/512087204.db2.gz AQFSJJPUYAEKCE-IXDOHACOSA-N 2 2 359.518 2.767 20 30 FFEDLP C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411129471 512481928 /nfs/dbraw/zinc/48/19/28/512481928.db2.gz GJXRKFZHICFDCD-LJQANCHMSA-N 2 2 364.493 2.807 20 30 FFEDLP C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411129471 512481930 /nfs/dbraw/zinc/48/19/30/512481930.db2.gz GJXRKFZHICFDCD-LJQANCHMSA-N 2 2 364.493 2.807 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374213441 512709523 /nfs/dbraw/zinc/70/95/23/512709523.db2.gz UDRPMIQSBJZOGZ-NGEICVOHSA-N 2 2 357.502 2.908 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374213441 512709526 /nfs/dbraw/zinc/70/95/26/512709526.db2.gz UDRPMIQSBJZOGZ-NGEICVOHSA-N 2 2 357.502 2.908 20 30 FFEDLP C[N@H+](CCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000392787184 512928332 /nfs/dbraw/zinc/92/83/32/512928332.db2.gz MBICZPJUQROEMT-UHFFFAOYSA-N 2 2 363.527 2.576 20 30 FFEDLP C[N@@H+](CCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 ZINC000392787184 512928335 /nfs/dbraw/zinc/92/83/35/512928335.db2.gz MBICZPJUQROEMT-UHFFFAOYSA-N 2 2 363.527 2.576 20 30 FFEDLP CCCC[C@@H](ON=C(C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376893320 513036121 /nfs/dbraw/zinc/03/61/21/513036121.db2.gz OBBYJOBSKHHRJK-RTBURBONSA-N 2 2 366.550 2.585 20 30 FFEDLP CCCC[C@@H](ON=C(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376893320 513036126 /nfs/dbraw/zinc/03/61/26/513036126.db2.gz OBBYJOBSKHHRJK-RTBURBONSA-N 2 2 366.550 2.585 20 30 FFEDLP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000421397990 513247436 /nfs/dbraw/zinc/24/74/36/513247436.db2.gz FQDSYRYCFVMXHN-KRWDZBQOSA-N 2 2 357.498 2.696 20 30 FFEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000418138332 513388448 /nfs/dbraw/zinc/38/84/48/513388448.db2.gz CQVYIGZCJADCMP-FQEVSTJZSA-N 2 2 355.482 2.943 20 30 FFEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1OC ZINC000414840635 514319975 /nfs/dbraw/zinc/31/99/75/514319975.db2.gz GSNZYISTXAQQHV-ZDUSSCGKSA-N 2 2 355.276 2.864 20 30 FFEDLP C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000499065111 515185657 /nfs/dbraw/zinc/18/56/57/515185657.db2.gz PLPBDJQHANGYRY-CQSZACIVSA-N 2 2 355.935 2.942 20 30 FFEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000499065111 515185664 /nfs/dbraw/zinc/18/56/64/515185664.db2.gz PLPBDJQHANGYRY-CQSZACIVSA-N 2 2 355.935 2.942 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472501058 515295252 /nfs/dbraw/zinc/29/52/52/515295252.db2.gz MQHRGUBQXOIGJH-UZGQDQSDSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000472501058 515295261 /nfs/dbraw/zinc/29/52/61/515295261.db2.gz MQHRGUBQXOIGJH-UZGQDQSDSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000472501058 515295269 /nfs/dbraw/zinc/29/52/69/515295269.db2.gz MQHRGUBQXOIGJH-UZGQDQSDSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000472501058 515295276 /nfs/dbraw/zinc/29/52/76/515295276.db2.gz MQHRGUBQXOIGJH-UZGQDQSDSA-N 2 2 374.573 2.969 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1OC ZINC000529664506 517268993 /nfs/dbraw/zinc/26/89/93/517268993.db2.gz PNPLTOSFJWTEHB-UHFFFAOYSA-N 2 2 360.498 2.947 20 30 FFEDLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000563154419 517697956 /nfs/dbraw/zinc/69/79/56/517697956.db2.gz NZSOUWWYMBYJIL-INIZCTEOSA-N 2 2 360.465 2.916 20 30 FFEDLP C=CCNC(=O)C[NH+]1CCN(c2c(C)c(CC)[nH+]c3ccccc32)CC1 ZINC000581626014 518376813 /nfs/dbraw/zinc/37/68/13/518376813.db2.gz VSNNBUOFTFUWSS-UHFFFAOYSA-N 2 2 352.482 2.530 20 30 FFEDLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccc(C#N)cc1 ZINC000570856475 518812862 /nfs/dbraw/zinc/81/28/62/518812862.db2.gz BOKYXXYXWJAJJD-UHFFFAOYSA-N 2 2 358.449 2.641 20 30 FFEDLP CCc1ccc([C@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000580908183 519421092 /nfs/dbraw/zinc/42/10/92/519421092.db2.gz HHPVCXLCIFLKHZ-IRLDBZIGSA-N 2 2 367.493 2.753 20 30 FFEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000569323745 519492819 /nfs/dbraw/zinc/49/28/19/519492819.db2.gz NZLXQSRVMRNKTK-RTWAWAEBSA-N 2 2 366.509 2.948 20 30 FFEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000569323745 519492826 /nfs/dbraw/zinc/49/28/26/519492826.db2.gz NZLXQSRVMRNKTK-RTWAWAEBSA-N 2 2 366.509 2.948 20 30 FFEDLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602976936 520002365 /nfs/dbraw/zinc/00/23/65/520002365.db2.gz VNGCZNNOJOMVML-PMACEKPBSA-N 2 2 354.498 2.523 20 30 FFEDLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602976936 520002370 /nfs/dbraw/zinc/00/23/70/520002370.db2.gz VNGCZNNOJOMVML-PMACEKPBSA-N 2 2 354.498 2.523 20 30 FFEDLP CC(C)(C)N1C[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000594993804 520248406 /nfs/dbraw/zinc/24/84/06/520248406.db2.gz QXXSOFQTNNPRDD-IBGZPJMESA-N 2 2 368.525 2.759 20 30 FFEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)CCOCC1 ZINC000600713916 520415195 /nfs/dbraw/zinc/41/51/95/520415195.db2.gz GLQXLFCZSISWBR-DLBZAZTESA-N 2 2 363.527 2.546 20 30 FFEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)CCOCC1 ZINC000600713918 520415208 /nfs/dbraw/zinc/41/52/08/520415208.db2.gz GLQXLFCZSISWBR-IRXDYDNUSA-N 2 2 363.527 2.546 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504444 520514299 /nfs/dbraw/zinc/51/42/99/520514299.db2.gz JMGODFGQNYFAPH-JLMIFGBASA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504444 520514305 /nfs/dbraw/zinc/51/43/05/520514305.db2.gz JMGODFGQNYFAPH-JLMIFGBASA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504444 520514312 /nfs/dbraw/zinc/51/43/12/520514312.db2.gz JMGODFGQNYFAPH-JLMIFGBASA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504444 520514315 /nfs/dbraw/zinc/51/43/15/520514315.db2.gz JMGODFGQNYFAPH-JLMIFGBASA-N 2 2 360.546 2.723 20 30 FFEDLP N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000593944571 521306716 /nfs/dbraw/zinc/30/67/16/521306716.db2.gz WWADYPLYJQYGIX-KRWDZBQOSA-N 2 2 355.442 2.653 20 30 FFEDLP C=CCSc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681622877 734012474 /nfs/dbraw/zinc/01/24/74/734012474.db2.gz NCVAPLQBERBTAG-MRXNPFEDSA-N 2 2 359.539 2.863 20 30 FFEDLP C=CCSc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681622877 734012476 /nfs/dbraw/zinc/01/24/76/734012476.db2.gz NCVAPLQBERBTAG-MRXNPFEDSA-N 2 2 359.539 2.863 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000730096623 734614865 /nfs/dbraw/zinc/61/48/65/734614865.db2.gz XQGBSCNZYBVVSB-ZWKOTPCHSA-N 2 2 359.539 2.735 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000730096623 734614870 /nfs/dbraw/zinc/61/48/70/734614870.db2.gz XQGBSCNZYBVVSB-ZWKOTPCHSA-N 2 2 359.539 2.735 20 30 FFEDLP C#CCOc1cccc(Cl)c1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000809734248 741337956 /nfs/dbraw/zinc/33/79/56/741337956.db2.gz BOSNIHHRPDORMJ-UHFFFAOYSA-N 2 2 363.933 2.810 20 30 FFEDLP C#CCOc1cccc(Cl)c1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000809734248 741337961 /nfs/dbraw/zinc/33/79/61/741337961.db2.gz BOSNIHHRPDORMJ-UHFFFAOYSA-N 2 2 363.933 2.810 20 30 FFEDLP N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nc1 ZINC000896651763 971652158 /nfs/dbraw/zinc/65/21/58/971652158.db2.gz XZVRQOZYNOYBDX-QGZVFWFLSA-N 2 2 359.437 2.610 20 30 FFEDLP N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nc1 ZINC000896651763 971652160 /nfs/dbraw/zinc/65/21/60/971652160.db2.gz XZVRQOZYNOYBDX-QGZVFWFLSA-N 2 2 359.437 2.610 20 30 FFEDLP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)sc2C1 ZINC001175070394 1013384192 /nfs/dbraw/zinc/38/41/92/1013384192.db2.gz SPWCKKOTHZFPDB-RXMXQMHTSA-N 2 2 372.538 2.565 20 30 FFEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261885687 964164512 /nfs/dbraw/zinc/16/45/12/964164512.db2.gz WWKGHVAYDAKLGA-OAQYLSRUSA-N 2 2 351.498 2.829 20 30 FFEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)NCc1ccc(OC(F)(F)F)cc1 ZINC000176967008 968526880 /nfs/dbraw/zinc/52/68/80/968526880.db2.gz AEMFFBFNFJAWDE-UHFFFAOYSA-N 2 2 367.375 2.887 20 30 FFEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001027415011 974386989 /nfs/dbraw/zinc/38/69/89/974386989.db2.gz BVQZSUWBFZZNIN-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001027415011 974386997 /nfs/dbraw/zinc/38/69/97/974386997.db2.gz BVQZSUWBFZZNIN-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001087438705 977376320 /nfs/dbraw/zinc/37/63/20/977376320.db2.gz LYWNWDJKEZSDOM-CEMLEFRQSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001087438705 977376321 /nfs/dbraw/zinc/37/63/21/977376321.db2.gz LYWNWDJKEZSDOM-CEMLEFRQSA-N 2 2 367.537 2.858 20 30 FFEDLP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@]2(C)C1 ZINC000982282150 977381112 /nfs/dbraw/zinc/38/11/12/977381112.db2.gz OPPJJIUCFZGKFU-YHBROIRLSA-N 2 2 368.525 2.510 20 30 FFEDLP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@]2(C)C1 ZINC000982282150 977381117 /nfs/dbraw/zinc/38/11/17/977381117.db2.gz OPPJJIUCFZGKFU-YHBROIRLSA-N 2 2 368.525 2.510 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112119471 977705343 /nfs/dbraw/zinc/70/53/43/977705343.db2.gz YGUUQUHWSHEOKO-KFWWJZLASA-N 2 2 358.408 2.635 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C(F)(F)F ZINC001112121360 977781987 /nfs/dbraw/zinc/78/19/87/977781987.db2.gz IZLVFJXTPPENEN-HUUCEWRRSA-N 2 2 371.403 2.578 20 30 FFEDLP CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C12CCC2 ZINC000160107375 979598883 /nfs/dbraw/zinc/59/88/83/979598883.db2.gz STEAEKQCZQUGTL-XWTMOSNGSA-N 2 2 359.518 2.689 20 30 FFEDLP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000963331411 1014588078 /nfs/dbraw/zinc/58/80/78/1014588078.db2.gz KINDLVOJDJGVMU-LWSMDNFKSA-N 2 2 356.514 2.699 20 30 FFEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445473 984546982 /nfs/dbraw/zinc/54/69/82/984546982.db2.gz ZVVXIRUCHOFAPV-QKNQBKEWSA-N 2 2 356.514 2.854 20 30 FFEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001107445473 984546988 /nfs/dbraw/zinc/54/69/88/984546988.db2.gz ZVVXIRUCHOFAPV-QKNQBKEWSA-N 2 2 356.514 2.854 20 30 FFEDLP C[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897052 985371571 /nfs/dbraw/zinc/37/15/71/985371571.db2.gz PRROBAQRWREOJZ-SJBKTWHCSA-N 2 2 367.537 2.882 20 30 FFEDLP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897052 985371583 /nfs/dbraw/zinc/37/15/83/985371583.db2.gz PRROBAQRWREOJZ-SJBKTWHCSA-N 2 2 367.537 2.882 20 30 FFEDLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710757 988731921 /nfs/dbraw/zinc/73/19/21/988731921.db2.gz VFURBGYNMBDHGE-SFHLNBCPSA-N 2 2 364.493 2.570 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)s1 ZINC001034665507 990157659 /nfs/dbraw/zinc/15/76/59/990157659.db2.gz MAGZELQKOCFCJQ-BQGCOEIASA-N 2 2 369.494 2.664 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)s1 ZINC001034665507 990157664 /nfs/dbraw/zinc/15/76/64/990157664.db2.gz MAGZELQKOCFCJQ-BQGCOEIASA-N 2 2 369.494 2.664 20 30 FFEDLP C=CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001484558091 991675205 /nfs/dbraw/zinc/67/52/05/991675205.db2.gz ZEPMGLOFJDFDBA-RTBURBONSA-N 2 2 352.482 2.848 20 30 FFEDLP C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001484558091 991675206 /nfs/dbraw/zinc/67/52/06/991675206.db2.gz ZEPMGLOFJDFDBA-RTBURBONSA-N 2 2 352.482 2.848 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1F ZINC001079315947 991990439 /nfs/dbraw/zinc/99/04/39/991990439.db2.gz OAUXCJSGMOTJEJ-ZAAXVRCTSA-N 2 2 370.472 2.888 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001079315947 991990447 /nfs/dbraw/zinc/99/04/47/991990447.db2.gz OAUXCJSGMOTJEJ-ZAAXVRCTSA-N 2 2 370.472 2.888 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001079313327 992013642 /nfs/dbraw/zinc/01/36/42/992013642.db2.gz ICNJPQALNGOYQZ-HHXXYDBFSA-N 2 2 356.445 2.744 20 30 FFEDLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)CC[N@@H+]1C ZINC001095921180 1015684934 /nfs/dbraw/zinc/68/49/34/1015684934.db2.gz ICPCRJSKZOFTNC-BQEVRZRTSA-N 2 2 366.509 2.510 20 30 FFEDLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccccc2C#N)CC[N@H+]1C ZINC001095921180 1015684939 /nfs/dbraw/zinc/68/49/39/1015684939.db2.gz ICPCRJSKZOFTNC-BQEVRZRTSA-N 2 2 366.509 2.510 20 30 FFEDLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC[NH+]1C ZINC001095921180 1015684940 /nfs/dbraw/zinc/68/49/40/1015684940.db2.gz ICPCRJSKZOFTNC-BQEVRZRTSA-N 2 2 366.509 2.510 20 30 FFEDLP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC[NH+]1C ZINC001095921180 1015684945 /nfs/dbraw/zinc/68/49/45/1015684945.db2.gz ICPCRJSKZOFTNC-BQEVRZRTSA-N 2 2 366.509 2.510 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079961289 992599048 /nfs/dbraw/zinc/59/90/48/992599048.db2.gz LWBTTXMCVMRVJU-JLTOFOAXSA-N 2 2 359.433 2.685 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079961289 992599052 /nfs/dbraw/zinc/59/90/52/992599052.db2.gz LWBTTXMCVMRVJU-JLTOFOAXSA-N 2 2 359.433 2.685 20 30 FFEDLP CN(C(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C1(C#N)CCCCC1 ZINC000880568906 1015874134 /nfs/dbraw/zinc/87/41/34/1015874134.db2.gz GTITWQJUUQYJOP-LJQANCHMSA-N 2 2 365.481 2.899 20 30 FFEDLP CCC[N@H+](CC)C[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000811625480 995196387 /nfs/dbraw/zinc/19/63/87/995196387.db2.gz NPEXLFMIXVEPPM-HNNXBMFYSA-N 2 2 369.513 2.767 20 30 FFEDLP CCC[N@@H+](CC)C[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000811625480 995196390 /nfs/dbraw/zinc/19/63/90/995196390.db2.gz NPEXLFMIXVEPPM-HNNXBMFYSA-N 2 2 369.513 2.767 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@]2(C)C1 ZINC001091678862 1001033196 /nfs/dbraw/zinc/03/31/96/1001033196.db2.gz QHXWRASNCRFXSZ-YXTQBTIXSA-N 2 2 368.525 2.510 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@]2(C)C1 ZINC001091678862 1001033202 /nfs/dbraw/zinc/03/32/02/1001033202.db2.gz QHXWRASNCRFXSZ-YXTQBTIXSA-N 2 2 368.525 2.510 20 30 FFEDLP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922697 1001154364 /nfs/dbraw/zinc/15/43/64/1001154364.db2.gz KOJRYVSBYJRIEN-AOIWGVFYSA-N 2 2 351.454 2.569 20 30 FFEDLP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922697 1001154369 /nfs/dbraw/zinc/15/43/69/1001154369.db2.gz KOJRYVSBYJRIEN-AOIWGVFYSA-N 2 2 351.454 2.569 20 30 FFEDLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCc1ccc(C#N)c(F)c1 ZINC001170089626 1001862802 /nfs/dbraw/zinc/86/28/02/1001862802.db2.gz XRODSRIBNKNVSY-UHFFFAOYSA-N 2 2 354.433 2.583 20 30 FFEDLP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183831733 1002403243 /nfs/dbraw/zinc/40/32/43/1002403243.db2.gz PPAWWWOAAQINHE-NRFANRHFSA-N 2 2 368.525 2.855 20 30 FFEDLP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183831733 1002403248 /nfs/dbraw/zinc/40/32/48/1002403248.db2.gz PPAWWWOAAQINHE-NRFANRHFSA-N 2 2 368.525 2.855 20 30 FFEDLP CC(C)N(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)C(C)(C)C[NH3+] ZINC001183839813 1002406494 /nfs/dbraw/zinc/40/64/94/1002406494.db2.gz OJRMTOWWMJSDRL-LJQANCHMSA-N 2 2 356.514 2.887 20 30 FFEDLP CC(C)N(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)C(C)(C)C[NH3+] ZINC001183839813 1002406504 /nfs/dbraw/zinc/40/65/04/1002406504.db2.gz OJRMTOWWMJSDRL-LJQANCHMSA-N 2 2 356.514 2.887 20 30 FFEDLP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595039 1002582941 /nfs/dbraw/zinc/58/29/41/1002582941.db2.gz HJIZOJGYIFTVJU-GHTZIAJQSA-N 2 2 358.445 2.784 20 30 FFEDLP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086595039 1002582953 /nfs/dbraw/zinc/58/29/53/1002582953.db2.gz HJIZOJGYIFTVJU-GHTZIAJQSA-N 2 2 358.445 2.784 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186203681 1003221357 /nfs/dbraw/zinc/22/13/57/1003221357.db2.gz QWEMGRAFLDLTPE-IEBWSBKVSA-N 2 2 370.472 2.889 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186203681 1003221364 /nfs/dbraw/zinc/22/13/64/1003221364.db2.gz QWEMGRAFLDLTPE-IEBWSBKVSA-N 2 2 370.472 2.889 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086609964 1003232821 /nfs/dbraw/zinc/23/28/21/1003232821.db2.gz HMTFRCWRCIRGKN-YSTOQKLRSA-N 2 2 364.493 2.684 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086609964 1003232832 /nfs/dbraw/zinc/23/28/32/1003232832.db2.gz HMTFRCWRCIRGKN-YSTOQKLRSA-N 2 2 364.493 2.684 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)cc(C)c1 ZINC001095555314 1016747521 /nfs/dbraw/zinc/74/75/21/1016747521.db2.gz GSKYJQWVBKYWEM-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)cc(C)c1 ZINC001095555314 1016747532 /nfs/dbraw/zinc/74/75/32/1016747532.db2.gz GSKYJQWVBKYWEM-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)cc(C)c1 ZINC001095555314 1016747542 /nfs/dbraw/zinc/74/75/42/1016747542.db2.gz GSKYJQWVBKYWEM-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)cc(C)c1 ZINC001095555314 1016747556 /nfs/dbraw/zinc/74/75/56/1016747556.db2.gz GSKYJQWVBKYWEM-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C)cc1C ZINC001095556167 1016750525 /nfs/dbraw/zinc/75/05/25/1016750525.db2.gz BEHOYNFOQWAIAH-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C)cc1C ZINC001095556167 1016750543 /nfs/dbraw/zinc/75/05/43/1016750543.db2.gz BEHOYNFOQWAIAH-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C)cc1C ZINC001095556167 1016750555 /nfs/dbraw/zinc/75/05/55/1016750555.db2.gz BEHOYNFOQWAIAH-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C)cc1C ZINC001095556167 1016750570 /nfs/dbraw/zinc/75/05/70/1016750570.db2.gz BEHOYNFOQWAIAH-MLNNCEHLSA-N 2 2 365.521 2.623 20 30 FFEDLP CC(C)[N@H+](C)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793499823 1003409861 /nfs/dbraw/zinc/40/98/61/1003409861.db2.gz RXAOWMMOXOFNAJ-UHFFFAOYSA-N 2 2 356.514 2.608 20 30 FFEDLP CC(C)[N@@H+](C)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793499823 1003409868 /nfs/dbraw/zinc/40/98/68/1003409868.db2.gz RXAOWMMOXOFNAJ-UHFFFAOYSA-N 2 2 356.514 2.608 20 30 FFEDLP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001195875658 1005067095 /nfs/dbraw/zinc/06/70/95/1005067095.db2.gz MMBNVYQWLTXHGV-RTBURBONSA-N 2 2 356.514 2.654 20 30 FFEDLP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001195875658 1005067097 /nfs/dbraw/zinc/06/70/97/1005067097.db2.gz MMBNVYQWLTXHGV-RTBURBONSA-N 2 2 356.514 2.654 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000106267231 1005281918 /nfs/dbraw/zinc/28/19/18/1005281918.db2.gz VLHMNIXUPHXRLE-UHFFFAOYSA-N 2 2 353.470 2.712 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001489291222 1005450196 /nfs/dbraw/zinc/45/01/96/1005450196.db2.gz JHTNXRBHZPWTRQ-APWZRJJASA-N 2 2 356.514 2.615 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001489291222 1005450198 /nfs/dbraw/zinc/45/01/98/1005450198.db2.gz JHTNXRBHZPWTRQ-APWZRJJASA-N 2 2 356.514 2.615 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccccc1C#N ZINC001489291222 1005450201 /nfs/dbraw/zinc/45/02/01/1005450201.db2.gz JHTNXRBHZPWTRQ-APWZRJJASA-N 2 2 356.514 2.615 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccccc1C#N ZINC001489291222 1005450203 /nfs/dbraw/zinc/45/02/03/1005450203.db2.gz JHTNXRBHZPWTRQ-APWZRJJASA-N 2 2 356.514 2.615 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388798 1006542447 /nfs/dbraw/zinc/54/24/47/1006542447.db2.gz UJIVEPXOJKFUMF-CMKODMSKSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001188388798 1006542456 /nfs/dbraw/zinc/54/24/56/1006542456.db2.gz UJIVEPXOJKFUMF-CMKODMSKSA-N 2 2 356.514 2.725 20 30 FFEDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1O ZINC000883290718 1006736519 /nfs/dbraw/zinc/73/65/19/1006736519.db2.gz DREGUISZRXFUFC-INIZCTEOSA-N 2 2 350.466 2.866 20 30 FFEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cccc3c1CN(c1cccc[nH+]1)C3)C2 ZINC000884324620 1007374489 /nfs/dbraw/zinc/37/44/89/1007374489.db2.gz UWYGKEMREUHPKU-PSCUFVCCSA-N 2 2 373.460 2.680 20 30 FFEDLP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001177419872 1008605868 /nfs/dbraw/zinc/60/58/68/1008605868.db2.gz SASSDDFNPAYIFW-RTBURBONSA-N 2 2 356.514 2.545 20 30 FFEDLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094078884 1010838807 /nfs/dbraw/zinc/83/88/07/1010838807.db2.gz IYNVSZYADBPPQH-OWCLPIDISA-N 2 2 371.510 2.652 20 30 FFEDLP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1O ZINC000866250419 1010961676 /nfs/dbraw/zinc/96/16/76/1010961676.db2.gz AFVIIGMBKNPUGB-KRWDZBQOSA-N 2 2 365.481 2.522 20 30 FFEDLP CCCCCCCCC[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001275119863 1011970801 /nfs/dbraw/zinc/97/08/01/1011970801.db2.gz XXPLTJJZWFUNSU-RBUKOAKNSA-N 2 2 359.505 2.873 20 30 FFEDLP CCCCCCCCC[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001275119863 1011970812 /nfs/dbraw/zinc/97/08/12/1011970812.db2.gz XXPLTJJZWFUNSU-RBUKOAKNSA-N 2 2 359.505 2.873 20 30 FFEDLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172972678 1012142442 /nfs/dbraw/zinc/14/24/42/1012142442.db2.gz BGKHEGHXBCPMIJ-IKGGRYGDSA-N 2 2 350.507 2.598 20 30 FFEDLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172972678 1012142453 /nfs/dbraw/zinc/14/24/53/1012142453.db2.gz BGKHEGHXBCPMIJ-IKGGRYGDSA-N 2 2 350.507 2.598 20 30 FFEDLP CC[N@H+](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1 ZINC001173431272 1012592988 /nfs/dbraw/zinc/59/29/88/1012592988.db2.gz DXJNDQPJUYPDJT-UHFFFAOYSA-N 2 2 354.498 2.579 20 30 FFEDLP CC[N@@H+](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1 ZINC001173431272 1012593001 /nfs/dbraw/zinc/59/30/01/1012593001.db2.gz DXJNDQPJUYPDJT-UHFFFAOYSA-N 2 2 354.498 2.579 20 30 FFEDLP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001041293774 1018768280 /nfs/dbraw/zinc/76/82/80/1018768280.db2.gz KRXCITYRNLCQEB-KNKQGSTJSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001041293774 1018768296 /nfs/dbraw/zinc/76/82/96/1018768296.db2.gz KRXCITYRNLCQEB-KNKQGSTJSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001096328464 1020075909 /nfs/dbraw/zinc/07/59/09/1020075909.db2.gz AMOGFMUZZSDHQY-MNEFBYGVSA-N 2 2 351.454 2.569 20 30 FFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001096328464 1020075917 /nfs/dbraw/zinc/07/59/17/1020075917.db2.gz AMOGFMUZZSDHQY-MNEFBYGVSA-N 2 2 351.454 2.569 20 30 FFEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001098461509 1020929547 /nfs/dbraw/zinc/92/95/47/1020929547.db2.gz DUGPHTXHDXINKO-OAOYMFHYSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001098461509 1020929549 /nfs/dbraw/zinc/92/95/49/1020929549.db2.gz DUGPHTXHDXINKO-OAOYMFHYSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001098461509 1020929555 /nfs/dbraw/zinc/92/95/55/1020929555.db2.gz DUGPHTXHDXINKO-OAOYMFHYSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001098461509 1020929560 /nfs/dbraw/zinc/92/95/60/1020929560.db2.gz DUGPHTXHDXINKO-OAOYMFHYSA-N 2 2 372.538 2.716 20 30 FFEDLP C[C@H]([NH2+]C1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCOCC1)c1ccccc1 ZINC001120581933 1023369765 /nfs/dbraw/zinc/36/97/65/1023369765.db2.gz OIXORUIGCBFIPV-HKUYNNGSSA-N 2 2 357.498 2.531 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001121519554 1023823321 /nfs/dbraw/zinc/82/33/21/1023823321.db2.gz QNPYWGYWESYCHK-LJQANCHMSA-N 2 2 372.561 2.762 20 30 FFEDLP N#Cc1cccn(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1=O ZINC000758249886 1023995401 /nfs/dbraw/zinc/99/54/01/1023995401.db2.gz VMWOGHAPMXXXOG-UHFFFAOYSA-N 2 2 362.477 2.666 20 30 FFEDLP N#Cc1cccn(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1=O ZINC000758249886 1023995415 /nfs/dbraw/zinc/99/54/15/1023995415.db2.gz VMWOGHAPMXXXOG-UHFFFAOYSA-N 2 2 362.477 2.666 20 30 FFEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141977646 1027238144 /nfs/dbraw/zinc/23/81/44/1027238144.db2.gz LIONKDNUOPCSRW-UHFFFAOYSA-N 2 2 353.535 2.827 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141977646 1027238162 /nfs/dbraw/zinc/23/81/62/1027238162.db2.gz LIONKDNUOPCSRW-UHFFFAOYSA-N 2 2 353.535 2.827 20 30 FFEDLP C#CCOc1ccccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000092665658 1027395518 /nfs/dbraw/zinc/39/55/18/1027395518.db2.gz NTPNVGLVCMKTFS-WOJBJXKFSA-N 2 2 355.526 2.689 20 30 FFEDLP C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160950874 1027940806 /nfs/dbraw/zinc/94/08/06/1027940806.db2.gz IOSZIDQZPWRBEH-KRWDZBQOSA-N 2 2 362.477 2.729 20 30 FFEDLP CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783976560 1030380962 /nfs/dbraw/zinc/38/09/62/1030380962.db2.gz NTUQAICKWHVJLA-LJQANCHMSA-N 2 2 365.481 2.723 20 30 FFEDLP CC(C)C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783976560 1030380978 /nfs/dbraw/zinc/38/09/78/1030380978.db2.gz NTUQAICKWHVJLA-LJQANCHMSA-N 2 2 365.481 2.723 20 30 FFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3[nH+]c(C)[nH]c3C1)C2 ZINC001112438624 1030810966 /nfs/dbraw/zinc/81/09/66/1030810966.db2.gz IFBWIQALPMCPJG-FIKGOQFSSA-N 2 2 356.514 2.617 20 30 FFEDLP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3[nH]c(C)[nH+]c3C1)C2 ZINC001112438624 1030810988 /nfs/dbraw/zinc/81/09/88/1030810988.db2.gz IFBWIQALPMCPJG-FIKGOQFSSA-N 2 2 356.514 2.617 20 30 FFEDLP N#Cc1ccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c[nH]c2c1 ZINC001142916689 1031050642 /nfs/dbraw/zinc/05/06/42/1031050642.db2.gz XIGPHSPWYUZTQA-PMACEKPBSA-N 2 2 357.461 2.998 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1F ZINC001205678466 1031929217 /nfs/dbraw/zinc/92/92/17/1031929217.db2.gz IEJNWRUBYSJXJS-QFBILLFUSA-N 2 2 356.445 2.560 20 30 FFEDLP N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225936507 1034459641 /nfs/dbraw/zinc/45/96/41/1034459641.db2.gz PYMAIYXKNMRCSR-QZTJIDSGSA-N 2 2 369.444 2.570 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(F)c(C#N)c(F)c4)C[C@@H]3C2)cn1 ZINC001140751829 1036058972 /nfs/dbraw/zinc/05/89/72/1036058972.db2.gz IDJRBLFIZAEDMO-SJORKVTESA-N 2 2 371.435 2.524 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(F)c(C#N)c(F)c4)C[C@@H]3C2)cn1 ZINC001140751829 1036058993 /nfs/dbraw/zinc/05/89/93/1036058993.db2.gz IDJRBLFIZAEDMO-SJORKVTESA-N 2 2 371.435 2.524 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(F)c(C#N)c(F)c4)C[C@@H]3C2)cn1 ZINC001140751829 1036059003 /nfs/dbraw/zinc/05/90/03/1036059003.db2.gz IDJRBLFIZAEDMO-SJORKVTESA-N 2 2 371.435 2.524 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(F)c(C#N)c(F)c4)C[C@@H]3C2)cn1 ZINC001140751829 1036059012 /nfs/dbraw/zinc/05/90/12/1036059012.db2.gz IDJRBLFIZAEDMO-SJORKVTESA-N 2 2 371.435 2.524 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207790683 1037729885 /nfs/dbraw/zinc/72/98/85/1037729885.db2.gz WAICOGBLMHJRIT-CRAIPNDOSA-N 2 2 350.507 2.757 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001207790683 1037729904 /nfs/dbraw/zinc/72/99/04/1037729904.db2.gz WAICOGBLMHJRIT-CRAIPNDOSA-N 2 2 350.507 2.757 20 30 FFEDLP COCC[N@H+](Cc1ccc(C#N)c(Br)c1)C1CC[NH+](C)CC1 ZINC001236862912 1038316078 /nfs/dbraw/zinc/31/60/78/1038316078.db2.gz DHSPAIWDKBZLDH-UHFFFAOYSA-N 2 2 366.303 2.863 20 30 FFEDLP COCC[N@@H+](Cc1ccc(C#N)c(Br)c1)C1CC[NH+](C)CC1 ZINC001236862912 1038316094 /nfs/dbraw/zinc/31/60/94/1038316094.db2.gz DHSPAIWDKBZLDH-UHFFFAOYSA-N 2 2 366.303 2.863 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C[C@@H]4CCOC4)C3)C2)cc1C#N ZINC001278463966 1039458842 /nfs/dbraw/zinc/45/88/42/1039458842.db2.gz ONCLYNBHWJBRAN-GHTZIAJQSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C[C@@H]4CCOC4)C3)C2)cc1C#N ZINC001278463966 1039458850 /nfs/dbraw/zinc/45/88/50/1039458850.db2.gz ONCLYNBHWJBRAN-GHTZIAJQSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C[C@@H]4CCOC4)C3)C2)cc1C#N ZINC001278463966 1039458858 /nfs/dbraw/zinc/45/88/58/1039458858.db2.gz ONCLYNBHWJBRAN-GHTZIAJQSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C[C@@H]4CCOC4)C3)C2)cc1C#N ZINC001278463966 1039458866 /nfs/dbraw/zinc/45/88/66/1039458866.db2.gz ONCLYNBHWJBRAN-GHTZIAJQSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C[C@H]4CCOC4)C3)C2)cc1C#N ZINC001278463967 1039459505 /nfs/dbraw/zinc/45/95/05/1039459505.db2.gz ONCLYNBHWJBRAN-NQIIRXRSSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C[C@H]4CCOC4)C3)C2)cc1C#N ZINC001278463967 1039459510 /nfs/dbraw/zinc/45/95/10/1039459510.db2.gz ONCLYNBHWJBRAN-NQIIRXRSSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C[C@H]4CCOC4)C3)C2)cc1C#N ZINC001278463967 1039459517 /nfs/dbraw/zinc/45/95/17/1039459517.db2.gz ONCLYNBHWJBRAN-NQIIRXRSSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C[C@H]4CCOC4)C3)C2)cc1C#N ZINC001278463967 1039459524 /nfs/dbraw/zinc/45/95/24/1039459524.db2.gz ONCLYNBHWJBRAN-NQIIRXRSSA-N 2 2 356.514 2.611 20 30 FFEDLP C=CCOC[C@H](O)C[NH2+]CC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001252486964 1039554506 /nfs/dbraw/zinc/55/45/06/1039554506.db2.gz KRSGEGDQZFJYEZ-JOCHJYFZSA-N 2 2 366.505 2.861 20 30 FFEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(C#Cc2ccccc2)s1 ZINC001278847426 1041185258 /nfs/dbraw/zinc/18/52/58/1041185258.db2.gz PPAZQWZZDKLWIB-BGYRXZFFSA-N 2 2 365.546 2.968 20 30 FFEDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(C#Cc2ccccc2)s1 ZINC001278847426 1041185265 /nfs/dbraw/zinc/18/52/65/1041185265.db2.gz PPAZQWZZDKLWIB-BGYRXZFFSA-N 2 2 365.546 2.968 20 30 FFEDLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3cc(C#N)ccc3F)no2)CC1 ZINC001214672258 1041527917 /nfs/dbraw/zinc/52/79/17/1041527917.db2.gz VBQIMGLMLNCIIZ-UHFFFAOYSA-N 2 2 364.384 2.561 20 30 FFEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001279392380 1043047932 /nfs/dbraw/zinc/04/79/32/1043047932.db2.gz TYKUDJMZRKQHDG-HXUWFJFHSA-N 2 2 362.468 2.686 20 30 FFEDLP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001279392380 1043047940 /nfs/dbraw/zinc/04/79/40/1043047940.db2.gz TYKUDJMZRKQHDG-HXUWFJFHSA-N 2 2 362.468 2.686 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C[C@@H]4CCCO4)C3)C2)cc1C#N ZINC001279467992 1043149897 /nfs/dbraw/zinc/14/98/97/1043149897.db2.gz QZABAXZKEAFMRQ-LEWJYISDSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C[C@@H]4CCCO4)C3)C2)cc1C#N ZINC001279467992 1043149899 /nfs/dbraw/zinc/14/98/99/1043149899.db2.gz QZABAXZKEAFMRQ-LEWJYISDSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C[C@@H]4CCCO4)C3)C2)cc1C#N ZINC001279467992 1043149900 /nfs/dbraw/zinc/14/99/00/1043149900.db2.gz QZABAXZKEAFMRQ-LEWJYISDSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C[C@@H]4CCCO4)C3)C2)cc1C#N ZINC001279467992 1043149901 /nfs/dbraw/zinc/14/99/01/1043149901.db2.gz QZABAXZKEAFMRQ-LEWJYISDSA-N 2 2 356.514 2.754 20 30 FFEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001539432323 1070637110 /nfs/dbraw/zinc/63/71/10/1070637110.db2.gz ZXUQNGSFNVYGCP-OALUTQOASA-N 2 2 374.577 2.523 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001333338460 1048846013 /nfs/dbraw/zinc/84/60/13/1048846013.db2.gz ZFHPTQYZRSSXRR-AWEZNQCLSA-N 2 2 361.877 2.957 20 30 FFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001340390707 1050784975 /nfs/dbraw/zinc/78/49/75/1050784975.db2.gz RWMYLYAPNUJUCZ-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001340390707 1050784985 /nfs/dbraw/zinc/78/49/85/1050784985.db2.gz RWMYLYAPNUJUCZ-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001340390707 1050784991 /nfs/dbraw/zinc/78/49/91/1050784991.db2.gz RWMYLYAPNUJUCZ-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001340390707 1050784995 /nfs/dbraw/zinc/78/49/95/1050784995.db2.gz RWMYLYAPNUJUCZ-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342977291 1051592730 /nfs/dbraw/zinc/59/27/30/1051592730.db2.gz DLYKSGYHAMFWBB-GOSISDBHSA-N 2 2 360.550 2.978 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342977291 1051592747 /nfs/dbraw/zinc/59/27/47/1051592747.db2.gz DLYKSGYHAMFWBB-GOSISDBHSA-N 2 2 360.550 2.978 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001343552847 1052301785 /nfs/dbraw/zinc/30/17/85/1052301785.db2.gz DWCWHMGKLPRRKW-QZTJIDSGSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001343552847 1052301787 /nfs/dbraw/zinc/30/17/87/1052301787.db2.gz DWCWHMGKLPRRKW-QZTJIDSGSA-N 2 2 358.534 2.686 20 30 FFEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001308033604 1052389135 /nfs/dbraw/zinc/38/91/35/1052389135.db2.gz NGDQADARKXQCDD-VQTJNVASSA-N 2 2 362.433 2.526 20 30 FFEDLP COc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC001335338415 1053303292 /nfs/dbraw/zinc/30/32/92/1053303292.db2.gz SACKRYHOZBIFIN-JOCHJYFZSA-N 2 2 365.477 2.854 20 30 FFEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001479480840 1062460132 /nfs/dbraw/zinc/46/01/32/1062460132.db2.gz BYWZFMNEENRZBE-QLFBSQMISA-N 2 2 371.510 2.596 20 30 FFEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001479480840 1062460141 /nfs/dbraw/zinc/46/01/41/1062460141.db2.gz BYWZFMNEENRZBE-QLFBSQMISA-N 2 2 371.510 2.596 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCCC34OCCO4)CC2)cc1 ZINC001561046185 1076324002 /nfs/dbraw/zinc/32/40/02/1076324002.db2.gz FIHOZBMZHAULMH-HXUWFJFHSA-N 2 2 355.482 2.798 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC001588656943 1080144608 /nfs/dbraw/zinc/14/46/08/1080144608.db2.gz CKXLCVSMVZREHF-LJQANCHMSA-N 2 2 352.486 2.874 20 30 FFEDLP C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC001588741518 1080177692 /nfs/dbraw/zinc/17/76/92/1080177692.db2.gz CYVAQGXQAPGYCO-LJQANCHMSA-N 2 2 374.577 2.523 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC)c1 ZINC000080959180 508116979 /nfs/dbraw/zinc/11/69/79/508116979.db2.gz OVAGMQMZBJOTIU-ZWKOTPCHSA-N 2 2 371.481 2.766 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC)c1 ZINC000080959180 508116982 /nfs/dbraw/zinc/11/69/82/508116982.db2.gz OVAGMQMZBJOTIU-ZWKOTPCHSA-N 2 2 371.481 2.766 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000106246270 508398503 /nfs/dbraw/zinc/39/85/03/508398503.db2.gz OJTSFRQVZAXEPO-UHFFFAOYSA-N 2 2 371.525 2.818 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC000106263003 508398698 /nfs/dbraw/zinc/39/86/98/508398698.db2.gz HRTSWMDCKQDXRO-UHFFFAOYSA-N 2 2 359.518 2.768 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC000124463400 508835965 /nfs/dbraw/zinc/83/59/65/508835965.db2.gz SWGQJKFLSJVNLZ-INIZCTEOSA-N 2 2 362.543 2.787 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151102174 508956825 /nfs/dbraw/zinc/95/68/25/508956825.db2.gz LMDMJFDCZFVSNI-UYAOXDASSA-N 2 2 367.493 2.984 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151102174 508956827 /nfs/dbraw/zinc/95/68/27/508956827.db2.gz LMDMJFDCZFVSNI-UYAOXDASSA-N 2 2 367.493 2.984 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248215248 509261429 /nfs/dbraw/zinc/26/14/29/509261429.db2.gz ZMYQGJSUIAHEAL-HLAWJBBLSA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248215248 509261432 /nfs/dbraw/zinc/26/14/32/509261432.db2.gz ZMYQGJSUIAHEAL-HLAWJBBLSA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248215248 509261434 /nfs/dbraw/zinc/26/14/34/509261434.db2.gz ZMYQGJSUIAHEAL-HLAWJBBLSA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248215248 509261436 /nfs/dbraw/zinc/26/14/36/509261436.db2.gz ZMYQGJSUIAHEAL-HLAWJBBLSA-N 2 2 368.525 2.733 20 30 FFEDLP CCO[C@@H]1C[C@@](CO)([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000188905138 509318822 /nfs/dbraw/zinc/31/88/22/509318822.db2.gz IOJQXAPDGREXQM-IRLDBZIGSA-N 2 2 371.525 2.678 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1OC ZINC000264114928 509336778 /nfs/dbraw/zinc/33/67/78/509336778.db2.gz SEMAEIKDNZVFKO-CYBMUJFWSA-N 2 2 374.510 2.939 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1OC ZINC000264114928 509336786 /nfs/dbraw/zinc/33/67/86/509336786.db2.gz SEMAEIKDNZVFKO-CYBMUJFWSA-N 2 2 374.510 2.939 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000264418587 509516012 /nfs/dbraw/zinc/51/60/12/509516012.db2.gz WEBRKOZUDPXNBI-UHFFFAOYSA-N 2 2 357.502 2.522 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246289374 510409411 /nfs/dbraw/zinc/40/94/11/510409411.db2.gz AYGOYJYQVVGZNF-CVEARBPZSA-N 2 2 369.494 2.821 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000246289374 510409419 /nfs/dbraw/zinc/40/94/19/510409419.db2.gz AYGOYJYQVVGZNF-CVEARBPZSA-N 2 2 369.494 2.821 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000172150991 510571099 /nfs/dbraw/zinc/57/10/99/510571099.db2.gz CSXGEVDOARGPMU-QGZVFWFLSA-N 2 2 366.456 2.517 20 30 FFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000191496771 510686829 /nfs/dbraw/zinc/68/68/29/510686829.db2.gz MXCVUUQQQCPLOO-LJQANCHMSA-N 2 2 354.454 2.943 20 30 FFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000191496771 510686837 /nfs/dbraw/zinc/68/68/37/510686837.db2.gz MXCVUUQQQCPLOO-LJQANCHMSA-N 2 2 354.454 2.943 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246855905 510711623 /nfs/dbraw/zinc/71/16/23/510711623.db2.gz KXOAJWXUSVVUAV-HBFSDRIKSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246855905 510711629 /nfs/dbraw/zinc/71/16/29/510711629.db2.gz KXOAJWXUSVVUAV-HBFSDRIKSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246855905 510711638 /nfs/dbraw/zinc/71/16/38/510711638.db2.gz KXOAJWXUSVVUAV-HBFSDRIKSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246855905 510711645 /nfs/dbraw/zinc/71/16/45/510711645.db2.gz KXOAJWXUSVVUAV-HBFSDRIKSA-N 2 2 354.498 2.738 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282517141 511009728 /nfs/dbraw/zinc/00/97/28/511009728.db2.gz PEUYHGMZONGTSN-AZUAARDMSA-N 2 2 370.541 2.885 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282517141 511009731 /nfs/dbraw/zinc/00/97/31/511009731.db2.gz PEUYHGMZONGTSN-AZUAARDMSA-N 2 2 370.541 2.885 20 30 FFEDLP C[N@H+](CC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1CCSC1 ZINC000328940133 511953033 /nfs/dbraw/zinc/95/30/33/511953033.db2.gz HLRMNBNADWGWMV-ZIAGYGMSSA-N 2 2 350.532 2.889 20 30 FFEDLP C[N@@H+](CC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1CCSC1 ZINC000328940133 511953041 /nfs/dbraw/zinc/95/30/41/511953041.db2.gz HLRMNBNADWGWMV-ZIAGYGMSSA-N 2 2 350.532 2.889 20 30 FFEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329395496 512038828 /nfs/dbraw/zinc/03/88/28/512038828.db2.gz XBADWVIUOXBCIS-IEBWSBKVSA-N 2 2 373.545 2.696 20 30 FFEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329395496 512038833 /nfs/dbraw/zinc/03/88/33/512038833.db2.gz XBADWVIUOXBCIS-IEBWSBKVSA-N 2 2 373.545 2.696 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372572723 512948032 /nfs/dbraw/zinc/94/80/32/512948032.db2.gz KHHMHVHHMODCHD-IHPCNDPISA-N 2 2 356.514 2.595 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372572723 512948036 /nfs/dbraw/zinc/94/80/36/512948036.db2.gz KHHMHVHHMODCHD-IHPCNDPISA-N 2 2 356.514 2.595 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372572723 512948038 /nfs/dbraw/zinc/94/80/38/512948038.db2.gz KHHMHVHHMODCHD-IHPCNDPISA-N 2 2 356.514 2.595 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372572723 512948042 /nfs/dbraw/zinc/94/80/42/512948042.db2.gz KHHMHVHHMODCHD-IHPCNDPISA-N 2 2 356.514 2.595 20 30 FFEDLP C=CCn1c(CC(C)C)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421263377 513186531 /nfs/dbraw/zinc/18/65/31/513186531.db2.gz PAHNVNUTCDLMAU-UHFFFAOYSA-N 2 2 374.577 2.659 20 30 FFEDLP C=CCn1c(CC(C)C)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421263377 513186536 /nfs/dbraw/zinc/18/65/36/513186536.db2.gz PAHNVNUTCDLMAU-UHFFFAOYSA-N 2 2 374.577 2.659 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)CC1 ZINC000416148036 513599960 /nfs/dbraw/zinc/59/99/60/513599960.db2.gz CICHZGSGXMJWLB-UHFFFAOYSA-N 2 2 364.493 2.603 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)CC1 ZINC000416148036 513599966 /nfs/dbraw/zinc/59/99/66/513599966.db2.gz CICHZGSGXMJWLB-UHFFFAOYSA-N 2 2 364.493 2.603 20 30 FFEDLP CN(C)c1[nH+]cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)n1C ZINC000414344535 514057822 /nfs/dbraw/zinc/05/78/22/514057822.db2.gz CSBWNBYRVDFBAF-UHFFFAOYSA-N 2 2 353.470 2.838 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C(C)C ZINC000423325944 514110722 /nfs/dbraw/zinc/11/07/22/514110722.db2.gz CGRBQFJDKSJAOL-WMZOPIPTSA-N 2 2 351.441 2.779 20 30 FFEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1OC ZINC000414840633 514319223 /nfs/dbraw/zinc/31/92/23/514319223.db2.gz GSNZYISTXAQQHV-CYBMUJFWSA-N 2 2 355.276 2.864 20 30 FFEDLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC(C)(C)C#N ZINC000433303457 514451014 /nfs/dbraw/zinc/45/10/14/514451014.db2.gz LCBTUDAPAIOVDA-QGZVFWFLSA-N 2 2 356.514 2.637 20 30 FFEDLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC(C)(C)C#N ZINC000433303457 514451020 /nfs/dbraw/zinc/45/10/20/514451020.db2.gz LCBTUDAPAIOVDA-QGZVFWFLSA-N 2 2 356.514 2.637 20 30 FFEDLP C=C(C)C[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000470911235 514670248 /nfs/dbraw/zinc/67/02/48/514670248.db2.gz RESBWCLVZQGCRA-OAQYLSRUSA-N 2 2 373.541 2.538 20 30 FFEDLP C=C(C)C[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000470911235 514670254 /nfs/dbraw/zinc/67/02/54/514670254.db2.gz RESBWCLVZQGCRA-OAQYLSRUSA-N 2 2 373.541 2.538 20 30 FFEDLP C=C(C)C[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccccc1 ZINC000470911235 514670260 /nfs/dbraw/zinc/67/02/60/514670260.db2.gz RESBWCLVZQGCRA-OAQYLSRUSA-N 2 2 373.541 2.538 20 30 FFEDLP C=C(C)C[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccccc1 ZINC000470911235 514670266 /nfs/dbraw/zinc/67/02/66/514670266.db2.gz RESBWCLVZQGCRA-OAQYLSRUSA-N 2 2 373.541 2.538 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N(C)Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000465856279 516272407 /nfs/dbraw/zinc/27/24/07/516272407.db2.gz CJYNSZFUIHWMHQ-UHFFFAOYSA-N 2 2 367.497 2.723 20 30 FFEDLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000512616584 516313866 /nfs/dbraw/zinc/31/38/66/516313866.db2.gz CBWNVKPOHDMDOI-HNNXBMFYSA-N 2 2 353.445 2.695 20 30 FFEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000558013653 516550061 /nfs/dbraw/zinc/55/00/61/516550061.db2.gz UVLMDVJWHSQYFV-IERDGZPVSA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000558013653 516550069 /nfs/dbraw/zinc/55/00/69/516550069.db2.gz UVLMDVJWHSQYFV-IERDGZPVSA-N 2 2 353.441 2.985 20 30 FFEDLP CCn1cc[nH+]c1CN(C(=O)c1cccc(C#N)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000518993961 516847837 /nfs/dbraw/zinc/84/78/37/516847837.db2.gz VXIVZOMBBCALMS-GOSISDBHSA-N 2 2 363.465 2.559 20 30 FFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000541539172 517105290 /nfs/dbraw/zinc/10/52/90/517105290.db2.gz WJTHFYIZFPAZSV-UHFFFAOYSA-N 2 2 358.449 2.770 20 30 FFEDLP C[C@H]1C[NH+](CCOC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000552678361 517346057 /nfs/dbraw/zinc/34/60/57/517346057.db2.gz DHEUQVHSZHMMMY-OALUTQOASA-N 2 2 374.500 2.767 20 30 FFEDLP CN(CC[N@H+](C)Cc1ccc(C#N)cc1OC(F)F)C1CC[NH+](C)CC1 ZINC000538131619 517476100 /nfs/dbraw/zinc/47/61/00/517476100.db2.gz MFIWSHIINAVNBM-UHFFFAOYSA-N 2 2 366.456 2.617 20 30 FFEDLP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F)C1CC[NH+](C)CC1 ZINC000538131619 517476105 /nfs/dbraw/zinc/47/61/05/517476105.db2.gz MFIWSHIINAVNBM-UHFFFAOYSA-N 2 2 366.456 2.617 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1OC(F)F ZINC000538131619 517476116 /nfs/dbraw/zinc/47/61/16/517476116.db2.gz MFIWSHIINAVNBM-UHFFFAOYSA-N 2 2 366.456 2.617 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1OC(F)F ZINC000538131619 517476127 /nfs/dbraw/zinc/47/61/27/517476127.db2.gz MFIWSHIINAVNBM-UHFFFAOYSA-N 2 2 366.456 2.617 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCN3CCCCC3=O)CC2)cc1 ZINC000538393768 517600759 /nfs/dbraw/zinc/60/07/59/517600759.db2.gz SXMKTVQDEYWNTF-UHFFFAOYSA-N 2 2 354.498 2.515 20 30 FFEDLP C=CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000538415016 517612147 /nfs/dbraw/zinc/61/21/47/517612147.db2.gz YFMHHGIEBNHHFQ-JOCHJYFZSA-N 2 2 352.478 2.978 20 30 FFEDLP C=CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000538415016 517612154 /nfs/dbraw/zinc/61/21/54/517612154.db2.gz YFMHHGIEBNHHFQ-JOCHJYFZSA-N 2 2 352.478 2.978 20 30 FFEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N1CCCC1 ZINC000527811506 517927375 /nfs/dbraw/zinc/92/73/75/517927375.db2.gz JTVQZAQJLJHQIK-UHFFFAOYSA-N 2 2 368.525 2.761 20 30 FFEDLP N#CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c(-c2ccncc2)n1 ZINC000527812602 517929857 /nfs/dbraw/zinc/92/98/57/517929857.db2.gz VIEDPMCFVRZLSU-HXUWFJFHSA-N 2 2 364.497 2.965 20 30 FFEDLP N#CCCn1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c(-c2ccncc2)n1 ZINC000527812602 517929865 /nfs/dbraw/zinc/92/98/65/517929865.db2.gz VIEDPMCFVRZLSU-HXUWFJFHSA-N 2 2 364.497 2.965 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000581501855 518318121 /nfs/dbraw/zinc/31/81/21/518318121.db2.gz PJDBBROPJFYTMJ-UHFFFAOYSA-N 2 2 360.465 2.664 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000565924969 519197867 /nfs/dbraw/zinc/19/78/67/519197867.db2.gz ZCLIJVLALVHMJB-UZLBHIALSA-N 2 2 358.486 2.676 20 30 FFEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(C4(C#N)CC4)cc3)[nH+]c2)C1 ZINC000594735436 520123786 /nfs/dbraw/zinc/12/37/86/520123786.db2.gz QOEHNTKVEPCDFZ-FQEVSTJZSA-N 2 2 361.493 2.811 20 30 FFEDLP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)CCC2 ZINC000609157674 520213195 /nfs/dbraw/zinc/21/31/95/520213195.db2.gz NUDCMPXFKOMLLB-CQSZACIVSA-N 2 2 369.494 2.971 20 30 FFEDLP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)CCC2 ZINC000609157674 520213202 /nfs/dbraw/zinc/21/32/02/520213202.db2.gz NUDCMPXFKOMLLB-CQSZACIVSA-N 2 2 369.494 2.971 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc4[nH+]ccn4c3)CC2)c1 ZINC000593355143 520933403 /nfs/dbraw/zinc/93/34/03/520933403.db2.gz MBLOLDBAHWVQBY-UHFFFAOYSA-N 2 2 359.433 2.600 20 30 FFEDLP N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000596983753 521422475 /nfs/dbraw/zinc/42/24/75/521422475.db2.gz IUJHVKYLJGEKCD-NRFANRHFSA-N 2 2 358.449 2.650 20 30 FFEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(C#N)n3)CC2)cc1 ZINC000602686933 521479796 /nfs/dbraw/zinc/47/97/96/521479796.db2.gz ZILVCOVZPUBOKP-UHFFFAOYSA-N 2 2 363.465 2.666 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccn(C(F)F)c3=O)CC2)c1 ZINC000602703691 521487333 /nfs/dbraw/zinc/48/73/33/521487333.db2.gz BBXPIAYMHFJASH-UHFFFAOYSA-N 2 2 372.419 2.869 20 30 FFEDLP C=CC(C)(C)CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000624465326 522703434 /nfs/dbraw/zinc/70/34/34/522703434.db2.gz MELZQBGDNKPSKW-UHFFFAOYSA-N 2 2 350.551 2.838 20 30 FFEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NC[C@@H]1CCCS1 ZINC000261991056 729656601 /nfs/dbraw/zinc/65/66/01/729656601.db2.gz RHRHAECUZOGCSQ-HIFRSBDPSA-N 2 2 352.573 2.555 20 30 FFEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)NC[C@@H]1CCCS1 ZINC000261991056 729656603 /nfs/dbraw/zinc/65/66/03/729656603.db2.gz RHRHAECUZOGCSQ-HIFRSBDPSA-N 2 2 352.573 2.555 20 30 FFEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000876896995 732293659 /nfs/dbraw/zinc/29/36/59/732293659.db2.gz OTGVQLUETDBLOL-UHFFFAOYSA-N 2 2 356.857 2.729 20 30 FFEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cc(C#N)cnc3Cl)[nH+]c2)C1 ZINC000877116955 732324685 /nfs/dbraw/zinc/32/46/85/732324685.db2.gz CGYPSYGWNUSUCB-INIZCTEOSA-N 2 2 356.861 2.754 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001087158207 963998528 /nfs/dbraw/zinc/99/85/28/963998528.db2.gz QYLSEGUOJACJOX-APWZRJJASA-N 2 2 365.481 2.631 20 30 FFEDLP C=CC[NH+]1CCC(Nc2cc[nH+]c(NC3CC[NH+](CC=C)CC3)n2)CC1 ZINC000892396326 968246997 /nfs/dbraw/zinc/24/69/97/968246997.db2.gz GNRQGVJOTHPHSX-UHFFFAOYSA-N 3 2 356.518 2.601 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ccc2C)[C@@H]1CC ZINC001087607341 968342426 /nfs/dbraw/zinc/34/24/26/968342426.db2.gz YKJGOXMYTVFNKA-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)[C@@H]1CC ZINC001087607341 968342432 /nfs/dbraw/zinc/34/24/32/968342432.db2.gz YKJGOXMYTVFNKA-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2C)[C@@H]1CC ZINC001087607341 968342440 /nfs/dbraw/zinc/34/24/40/968342440.db2.gz YKJGOXMYTVFNKA-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)ccc2C)[C@@H]1CC ZINC001087607341 968342445 /nfs/dbraw/zinc/34/24/45/968342445.db2.gz YKJGOXMYTVFNKA-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2ccccc2)[C@@H]1CC ZINC001087607888 968346134 /nfs/dbraw/zinc/34/61/34/968346134.db2.gz DLGIBLBHMUNJIH-BDTNDASRSA-N 2 2 367.537 2.686 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2ccccc2)[C@@H]1CC ZINC001087607888 968346139 /nfs/dbraw/zinc/34/61/39/968346139.db2.gz DLGIBLBHMUNJIH-BDTNDASRSA-N 2 2 367.537 2.686 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2ccccc2)[C@@H]1CC ZINC001087607888 968346146 /nfs/dbraw/zinc/34/61/46/968346146.db2.gz DLGIBLBHMUNJIH-BDTNDASRSA-N 2 2 367.537 2.686 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2ccccc2)[C@@H]1CC ZINC001087607888 968346152 /nfs/dbraw/zinc/34/61/52/968346152.db2.gz DLGIBLBHMUNJIH-BDTNDASRSA-N 2 2 367.537 2.686 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001087625446 968407103 /nfs/dbraw/zinc/40/71/03/968407103.db2.gz IIQNYFKCUZANOC-RCCFBDPRSA-N 2 2 360.527 2.573 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001087625446 968407107 /nfs/dbraw/zinc/40/71/07/968407107.db2.gz IIQNYFKCUZANOC-RCCFBDPRSA-N 2 2 360.527 2.573 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087625446 968407115 /nfs/dbraw/zinc/40/71/15/968407115.db2.gz IIQNYFKCUZANOC-RCCFBDPRSA-N 2 2 360.527 2.573 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccc(C#N)s1 ZINC001087625446 968407123 /nfs/dbraw/zinc/40/71/23/968407123.db2.gz IIQNYFKCUZANOC-RCCFBDPRSA-N 2 2 360.527 2.573 20 30 FFEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCS[C@@H](CC)C1 ZINC000261640541 977399497 /nfs/dbraw/zinc/39/94/97/977399497.db2.gz AHCWJNYHVRZTJD-KRWDZBQOSA-N 2 2 372.542 2.869 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001087440273 977457541 /nfs/dbraw/zinc/45/75/41/977457541.db2.gz RNNPXESITKKOAV-FGZHOGPDSA-N 2 2 367.537 2.716 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001087440273 977457543 /nfs/dbraw/zinc/45/75/43/977457543.db2.gz RNNPXESITKKOAV-FGZHOGPDSA-N 2 2 367.537 2.716 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112119472 977705103 /nfs/dbraw/zinc/70/51/03/977705103.db2.gz YGUUQUHWSHEOKO-RBSFLKMASA-N 2 2 358.408 2.635 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087458323 977921812 /nfs/dbraw/zinc/92/18/12/977921812.db2.gz WNTQWKBFKAANLA-DUXKGJEZSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001087458323 977921816 /nfs/dbraw/zinc/92/18/16/977921816.db2.gz WNTQWKBFKAANLA-DUXKGJEZSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001087458323 977921821 /nfs/dbraw/zinc/92/18/21/977921821.db2.gz WNTQWKBFKAANLA-DUXKGJEZSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001087458323 977921828 /nfs/dbraw/zinc/92/18/28/977921828.db2.gz WNTQWKBFKAANLA-DUXKGJEZSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001087465339 978325249 /nfs/dbraw/zinc/32/52/49/978325249.db2.gz JMSVLDOTYZIVFR-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001087465339 978325254 /nfs/dbraw/zinc/32/52/54/978325254.db2.gz JMSVLDOTYZIVFR-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001087465339 978325263 /nfs/dbraw/zinc/32/52/63/978325263.db2.gz JMSVLDOTYZIVFR-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001087465339 978325272 /nfs/dbraw/zinc/32/52/72/978325272.db2.gz JMSVLDOTYZIVFR-NJYVYQBISA-N 2 2 371.500 2.606 20 30 FFEDLP C=CCCC[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1 ZINC000904670906 980325421 /nfs/dbraw/zinc/32/54/21/980325421.db2.gz BMIMUUJLPIDLGM-INIZCTEOSA-N 2 2 356.474 2.630 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001088573693 981173797 /nfs/dbraw/zinc/17/37/97/981173797.db2.gz CVZZWZNJYIIFFS-MKXGPGLRSA-N 2 2 356.514 2.699 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001088573693 981173802 /nfs/dbraw/zinc/17/38/02/981173802.db2.gz CVZZWZNJYIIFFS-MKXGPGLRSA-N 2 2 356.514 2.699 20 30 FFEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001089060757 986146138 /nfs/dbraw/zinc/14/61/38/986146138.db2.gz FKFSCNDMWZIHIX-LSTHTHJFSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001089060757 986146140 /nfs/dbraw/zinc/14/61/40/986146140.db2.gz FKFSCNDMWZIHIX-LSTHTHJFSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089060757 986146142 /nfs/dbraw/zinc/14/61/42/986146142.db2.gz FKFSCNDMWZIHIX-LSTHTHJFSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001089060757 986146144 /nfs/dbraw/zinc/14/61/44/986146144.db2.gz FKFSCNDMWZIHIX-LSTHTHJFSA-N 2 2 354.498 2.512 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085235 988753676 /nfs/dbraw/zinc/75/36/76/988753676.db2.gz QJFBMCLGLVEAHB-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033085235 988753682 /nfs/dbraw/zinc/75/36/82/988753682.db2.gz QJFBMCLGLVEAHB-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001005394729 989754802 /nfs/dbraw/zinc/75/48/02/989754802.db2.gz FDXSQBDAJQHNSZ-IEBWSBKVSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1c1ccc(F)cc1 ZINC001079153674 991820519 /nfs/dbraw/zinc/82/05/19/991820519.db2.gz UNIZJTHTFAGAPB-RBUKOAKNSA-N 2 2 356.445 2.642 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC001079153674 991820526 /nfs/dbraw/zinc/82/05/26/991820526.db2.gz UNIZJTHTFAGAPB-RBUKOAKNSA-N 2 2 356.445 2.642 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107024826 993210563 /nfs/dbraw/zinc/21/05/63/993210563.db2.gz AZNWOGHCEHRYHY-CZUORRHYSA-N 2 2 367.946 2.543 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107024826 993210570 /nfs/dbraw/zinc/21/05/70/993210570.db2.gz AZNWOGHCEHRYHY-CZUORRHYSA-N 2 2 367.946 2.543 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1 ZINC001081135222 993693389 /nfs/dbraw/zinc/69/33/89/993693389.db2.gz LUIWVLJIHHZIBQ-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001054053066 1015935815 /nfs/dbraw/zinc/93/58/15/1015935815.db2.gz LHRWQTUWSMBPBR-XUVXKRRUSA-N 2 2 364.493 2.643 20 30 FFEDLP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001054053066 1015935826 /nfs/dbraw/zinc/93/58/26/1015935826.db2.gz LHRWQTUWSMBPBR-XUVXKRRUSA-N 2 2 364.493 2.643 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)cc1 ZINC001084452490 996562394 /nfs/dbraw/zinc/56/23/94/996562394.db2.gz GVHMNSZJARVYOX-DYESRHJHSA-N 2 2 371.444 2.781 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4cc5c[nH+]ccc5[nH]4)[C@@H]3C2)cc1 ZINC001084452490 996562402 /nfs/dbraw/zinc/56/24/02/996562402.db2.gz GVHMNSZJARVYOX-DYESRHJHSA-N 2 2 371.444 2.781 20 30 FFEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001096607575 1016348309 /nfs/dbraw/zinc/34/83/09/1016348309.db2.gz DUGPHTXHDXINKO-GRGSLBFTSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001096607575 1016348318 /nfs/dbraw/zinc/34/83/18/1016348318.db2.gz DUGPHTXHDXINKO-GRGSLBFTSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001096607575 1016348326 /nfs/dbraw/zinc/34/83/26/1016348326.db2.gz DUGPHTXHDXINKO-GRGSLBFTSA-N 2 2 372.538 2.716 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001096607575 1016348335 /nfs/dbraw/zinc/34/83/35/1016348335.db2.gz DUGPHTXHDXINKO-GRGSLBFTSA-N 2 2 372.538 2.716 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169905447 1000085270 /nfs/dbraw/zinc/08/52/70/1000085270.db2.gz LXOWZMMWVBRRTN-HXUWFJFHSA-N 2 2 355.482 2.798 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001109428102 1000439918 /nfs/dbraw/zinc/43/99/18/1000439918.db2.gz MXOFNVIQXXAKAC-GTAWCEEGSA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001109428102 1000439919 /nfs/dbraw/zinc/43/99/19/1000439919.db2.gz MXOFNVIQXXAKAC-GTAWCEEGSA-N 2 2 372.488 2.505 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464157 1000510596 /nfs/dbraw/zinc/51/05/96/1000510596.db2.gz OISCMSLSDNDOLS-RDGPPVDQSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001109464157 1000510602 /nfs/dbraw/zinc/51/06/02/1000510602.db2.gz OISCMSLSDNDOLS-RDGPPVDQSA-N 2 2 356.514 2.913 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)[NH+](CC)CC ZINC001109714332 1000896305 /nfs/dbraw/zinc/89/63/05/1000896305.db2.gz HDHJUYSZQKRCGG-MHTWAQMVSA-N 2 2 368.525 2.900 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)[NH+](CC)CC ZINC001109714332 1000896313 /nfs/dbraw/zinc/89/63/13/1000896313.db2.gz HDHJUYSZQKRCGG-MHTWAQMVSA-N 2 2 368.525 2.900 20 30 FFEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001095499318 1016514039 /nfs/dbraw/zinc/51/40/39/1016514039.db2.gz YHNRMMXOEFMUFN-IVAOSVALSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001095499318 1016514051 /nfs/dbraw/zinc/51/40/51/1016514051.db2.gz YHNRMMXOEFMUFN-IVAOSVALSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095499318 1016514067 /nfs/dbraw/zinc/51/40/67/1016514067.db2.gz YHNRMMXOEFMUFN-IVAOSVALSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095499318 1016514083 /nfs/dbraw/zinc/51/40/83/1016514083.db2.gz YHNRMMXOEFMUFN-IVAOSVALSA-N 2 2 366.509 2.654 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)CC1 ZINC000788244286 1001777033 /nfs/dbraw/zinc/77/70/33/1001777033.db2.gz OYYYTHSSLKHWFZ-SFHVURJKSA-N 2 2 368.525 2.776 20 30 FFEDLP CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790372014 1002360645 /nfs/dbraw/zinc/36/06/45/1002360645.db2.gz RMRAMOQZEGWNCM-OAQYLSRUSA-N 2 2 368.481 2.643 20 30 FFEDLP CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790372014 1002360661 /nfs/dbraw/zinc/36/06/61/1002360661.db2.gz RMRAMOQZEGWNCM-OAQYLSRUSA-N 2 2 368.481 2.643 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCCC1 ZINC001095556248 1016751080 /nfs/dbraw/zinc/75/10/80/1016751080.db2.gz HMGYDOHNBDSZSI-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCCC1 ZINC001095556248 1016751094 /nfs/dbraw/zinc/75/10/94/1016751094.db2.gz HMGYDOHNBDSZSI-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001095556248 1016751108 /nfs/dbraw/zinc/75/11/08/1016751108.db2.gz HMGYDOHNBDSZSI-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCC1CCCCC1 ZINC001095556248 1016751121 /nfs/dbraw/zinc/75/11/21/1016751121.db2.gz HMGYDOHNBDSZSI-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001189762997 1007258732 /nfs/dbraw/zinc/25/87/32/1007258732.db2.gz HJSBOVDRIMKJGO-FUHIMQAGSA-N 2 2 365.481 2.768 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001189762997 1007258743 /nfs/dbraw/zinc/25/87/43/1007258743.db2.gz HJSBOVDRIMKJGO-FUHIMQAGSA-N 2 2 365.481 2.768 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001110736903 1008214582 /nfs/dbraw/zinc/21/45/82/1008214582.db2.gz RVFBWOFCEQAZSC-QRVBRYPASA-N 2 2 354.498 2.510 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001110736903 1008214588 /nfs/dbraw/zinc/21/45/88/1008214588.db2.gz RVFBWOFCEQAZSC-QRVBRYPASA-N 2 2 354.498 2.510 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001110736903 1008214593 /nfs/dbraw/zinc/21/45/93/1008214593.db2.gz RVFBWOFCEQAZSC-QRVBRYPASA-N 2 2 354.498 2.510 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001110736903 1008214599 /nfs/dbraw/zinc/21/45/99/1008214599.db2.gz RVFBWOFCEQAZSC-QRVBRYPASA-N 2 2 354.498 2.510 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)Cc3ccccc3F)CC2)cc1 ZINC000886234703 1008606351 /nfs/dbraw/zinc/60/63/51/1008606351.db2.gz UGAQVIFKPWWRCZ-OAQYLSRUSA-N 2 2 367.468 2.855 20 30 FFEDLP C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)O2)CO1 ZINC000886330624 1008638707 /nfs/dbraw/zinc/63/87/07/1008638707.db2.gz VBPUSMKHQBAERK-YHYVQYDKSA-N 2 2 369.509 2.839 20 30 FFEDLP N#Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001178743877 1009111679 /nfs/dbraw/zinc/11/16/79/1009111679.db2.gz KRSUEDAMWROBNY-RTBURBONSA-N 2 2 365.481 2.851 20 30 FFEDLP N#Cc1cccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001178743877 1009111683 /nfs/dbraw/zinc/11/16/83/1009111683.db2.gz KRSUEDAMWROBNY-RTBURBONSA-N 2 2 365.481 2.851 20 30 FFEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001095405923 1010454740 /nfs/dbraw/zinc/45/47/40/1010454740.db2.gz FKZBMFLAWMEAPE-IVAOSVALSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095405923 1010454744 /nfs/dbraw/zinc/45/47/44/1010454744.db2.gz FKZBMFLAWMEAPE-IVAOSVALSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095405923 1010454746 /nfs/dbraw/zinc/45/47/46/1010454746.db2.gz FKZBMFLAWMEAPE-IVAOSVALSA-N 2 2 366.509 2.653 20 30 FFEDLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094077731 1010838049 /nfs/dbraw/zinc/83/80/49/1010838049.db2.gz OCRHCCZCYGYNLT-MBOZVWFJSA-N 2 2 365.481 2.590 20 30 FFEDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C#N)c1O ZINC000866323459 1010976646 /nfs/dbraw/zinc/97/66/46/1010976646.db2.gz IOAPXTQBJNOEGX-YOEHRIQHSA-N 2 2 351.454 2.972 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094452805 1011141302 /nfs/dbraw/zinc/14/13/02/1011141302.db2.gz FDJIUWIUSILSSG-WAOWUJCRSA-N 2 2 356.514 2.773 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001094452805 1011141306 /nfs/dbraw/zinc/14/13/06/1011141306.db2.gz FDJIUWIUSILSSG-WAOWUJCRSA-N 2 2 356.514 2.773 20 30 FFEDLP N#CCC1CCC([NH2+]C2(C(N)=O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173328780 1012445505 /nfs/dbraw/zinc/44/55/05/1012445505.db2.gz NILNZUMLQVELQS-UHFFFAOYSA-N 2 2 354.498 2.569 20 30 FFEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001097177684 1017152241 /nfs/dbraw/zinc/15/22/41/1017152241.db2.gz YHNRMMXOEFMUFN-MXEMCNAFSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001097177684 1017152245 /nfs/dbraw/zinc/15/22/45/1017152245.db2.gz YHNRMMXOEFMUFN-MXEMCNAFSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097177684 1017152253 /nfs/dbraw/zinc/15/22/53/1017152253.db2.gz YHNRMMXOEFMUFN-MXEMCNAFSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097177684 1017152259 /nfs/dbraw/zinc/15/22/59/1017152259.db2.gz YHNRMMXOEFMUFN-MXEMCNAFSA-N 2 2 366.509 2.654 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC2(CC2)CC1 ZINC001097249371 1017273394 /nfs/dbraw/zinc/27/33/94/1017273394.db2.gz XPISJEXROKGGJC-CGXNFDGLSA-N 2 2 369.553 2.776 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC2(CC2)CC1 ZINC001097249371 1017273403 /nfs/dbraw/zinc/27/34/03/1017273403.db2.gz XPISJEXROKGGJC-CGXNFDGLSA-N 2 2 369.553 2.776 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001097249371 1017273412 /nfs/dbraw/zinc/27/34/12/1017273412.db2.gz XPISJEXROKGGJC-CGXNFDGLSA-N 2 2 369.553 2.776 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC1CCC2(CC2)CC1 ZINC001097249371 1017273420 /nfs/dbraw/zinc/27/34/20/1017273420.db2.gz XPISJEXROKGGJC-CGXNFDGLSA-N 2 2 369.553 2.776 20 30 FFEDLP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)C1 ZINC001096022252 1019952734 /nfs/dbraw/zinc/95/27/34/1019952734.db2.gz HYNZKLKVWKTREV-JLSDUUJJSA-N 2 2 372.538 2.573 20 30 FFEDLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)C1 ZINC001096022252 1019952743 /nfs/dbraw/zinc/95/27/43/1019952743.db2.gz HYNZKLKVWKTREV-JLSDUUJJSA-N 2 2 372.538 2.573 20 30 FFEDLP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001096022252 1019952750 /nfs/dbraw/zinc/95/27/50/1019952750.db2.gz HYNZKLKVWKTREV-JLSDUUJJSA-N 2 2 372.538 2.573 20 30 FFEDLP CC1(C)CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001096022252 1019952758 /nfs/dbraw/zinc/95/27/58/1019952758.db2.gz HYNZKLKVWKTREV-JLSDUUJJSA-N 2 2 372.538 2.573 20 30 FFEDLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)[NH+](CC)CC ZINC001111017931 1020604508 /nfs/dbraw/zinc/60/45/08/1020604508.db2.gz HDHJUYSZQKRCGG-CGXNFDGLSA-N 2 2 368.525 2.900 20 30 FFEDLP CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)[NH+](CC)CC ZINC001111017931 1020604511 /nfs/dbraw/zinc/60/45/11/1020604511.db2.gz HDHJUYSZQKRCGG-CGXNFDGLSA-N 2 2 368.525 2.900 20 30 FFEDLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001111075361 1021266537 /nfs/dbraw/zinc/26/65/37/1021266537.db2.gz XFAZNIIENUEJTN-OBZTUIKSSA-N 2 2 363.465 2.628 20 30 FFEDLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001111075361 1021266550 /nfs/dbraw/zinc/26/65/50/1021266550.db2.gz XFAZNIIENUEJTN-OBZTUIKSSA-N 2 2 363.465 2.628 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001099278708 1022213057 /nfs/dbraw/zinc/21/30/57/1022213057.db2.gz GJLCDUBRTMNUQY-CHWSQXEVSA-N 2 2 352.360 2.503 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C(F)(F)F ZINC001099285029 1022223959 /nfs/dbraw/zinc/22/39/59/1022223959.db2.gz LWYRICCYURUKHY-HZPDHXFCSA-N 2 2 364.371 2.651 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001122440896 1023270369 /nfs/dbraw/zinc/27/03/69/1023270369.db2.gz LXAMEPVKUOLHCJ-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001122440896 1023270379 /nfs/dbraw/zinc/27/03/79/1023270379.db2.gz LXAMEPVKUOLHCJ-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001121128215 1023616295 /nfs/dbraw/zinc/61/62/95/1023616295.db2.gz ZNOKDTPMCAZABV-OPXGFZFMSA-N 2 2 368.525 2.747 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001101285263 1024329146 /nfs/dbraw/zinc/32/91/46/1024329146.db2.gz VIZXRCNJIVSITO-JQVVWYNYSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001101285263 1024329158 /nfs/dbraw/zinc/32/91/58/1024329158.db2.gz VIZXRCNJIVSITO-JQVVWYNYSA-N 2 2 370.541 2.972 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394134 1024621599 /nfs/dbraw/zinc/62/15/99/1024621599.db2.gz WLOYLQWINYUXHC-AEFFLSMTSA-N 2 2 350.894 2.505 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394134 1024621611 /nfs/dbraw/zinc/62/16/11/1024621611.db2.gz WLOYLQWINYUXHC-AEFFLSMTSA-N 2 2 350.894 2.505 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986744 1025248457 /nfs/dbraw/zinc/24/84/57/1025248457.db2.gz JFZQDGAEFZFCPQ-KZNAEPCWSA-N 2 2 358.530 2.801 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986744 1025248462 /nfs/dbraw/zinc/24/84/62/1025248462.db2.gz JFZQDGAEFZFCPQ-KZNAEPCWSA-N 2 2 358.530 2.801 20 30 FFEDLP C#CCOc1ccccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000092665652 1027394848 /nfs/dbraw/zinc/39/48/48/1027394848.db2.gz NTPNVGLVCMKTFS-BGYRXZFFSA-N 2 2 355.526 2.689 20 30 FFEDLP C#CCOc1ccccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000092665652 1027394861 /nfs/dbraw/zinc/39/48/61/1027394861.db2.gz NTPNVGLVCMKTFS-BGYRXZFFSA-N 2 2 355.526 2.689 20 30 FFEDLP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001160169051 1027619214 /nfs/dbraw/zinc/61/92/14/1027619214.db2.gz HLGOSLFKCKQBFN-UYAOXDASSA-N 2 2 368.525 2.868 20 30 FFEDLP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001160169051 1027619222 /nfs/dbraw/zinc/61/92/22/1027619222.db2.gz HLGOSLFKCKQBFN-UYAOXDASSA-N 2 2 368.525 2.868 20 30 FFEDLP C=CC[NH+]1CCN(C(=O)C[C@H]2CC3(CC[NH2+]CC3)c3c2cccc3C)CC1 ZINC001160432049 1027706644 /nfs/dbraw/zinc/70/66/44/1027706644.db2.gz MQYNITDRLJHBMZ-IBGZPJMESA-N 2 2 367.537 2.824 20 30 FFEDLP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001160461491 1027717168 /nfs/dbraw/zinc/71/71/68/1027717168.db2.gz RGNYXDRUWNVKRE-FQEVSTJZSA-N 2 2 359.514 2.673 20 30 FFEDLP C[C@H](c1ccccc1)N(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C1=CC(=O)CCC1 ZINC001161506508 1028206435 /nfs/dbraw/zinc/20/64/35/1028206435.db2.gz JPGKRLBGTQSDNF-QRWLVFNGSA-N 2 2 366.465 2.517 20 30 FFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112217877 1030264549 /nfs/dbraw/zinc/26/45/49/1030264549.db2.gz YLCZOUVTSGILJI-HUUCEWRRSA-N 2 2 360.424 2.832 20 30 FFEDLP CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783976558 1030379734 /nfs/dbraw/zinc/37/97/34/1030379734.db2.gz NTUQAICKWHVJLA-IBGZPJMESA-N 2 2 365.481 2.723 20 30 FFEDLP CC(C)C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783976558 1030379751 /nfs/dbraw/zinc/37/97/51/1030379751.db2.gz NTUQAICKWHVJLA-IBGZPJMESA-N 2 2 365.481 2.723 20 30 FFEDLP N#Cc1ccc(CC2CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)CC2)cc1 ZINC001166767030 1030512325 /nfs/dbraw/zinc/51/23/25/1030512325.db2.gz QMVKOKWQQICRRG-UHFFFAOYSA-N 2 2 361.493 2.822 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001112423689 1030785377 /nfs/dbraw/zinc/78/53/77/1030785377.db2.gz DPOAARPUJAYPRK-RXVVDRJESA-N 2 2 357.498 2.817 20 30 FFEDLP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001205322071 1031670521 /nfs/dbraw/zinc/67/05/21/1031670521.db2.gz OJLXMLPHYOYZDE-UYAOXDASSA-N 2 2 370.541 2.948 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001205415304 1031726313 /nfs/dbraw/zinc/72/63/13/1031726313.db2.gz NPCHMIZSZDDZPN-FTEYMNFISA-N 2 2 368.456 2.813 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205415304 1031726324 /nfs/dbraw/zinc/72/63/24/1031726324.db2.gz NPCHMIZSZDDZPN-FTEYMNFISA-N 2 2 368.456 2.813 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccccc1F ZINC001205664801 1031916117 /nfs/dbraw/zinc/91/61/17/1031916117.db2.gz WOEGUXLICBLYFJ-FUHWJXTLSA-N 2 2 356.445 2.642 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1F ZINC001205678617 1031929071 /nfs/dbraw/zinc/92/90/71/1031929071.db2.gz MIZUHDXRYVRZSS-AZUAARDMSA-N 2 2 370.472 2.652 20 30 FFEDLP C=C1C[NH2+][C@](C)(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001219716217 1033783409 /nfs/dbraw/zinc/78/34/09/1033783409.db2.gz GEJYQVLREPOUDA-QHCPKHFHSA-N 2 2 361.489 2.885 20 30 FFEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001226679607 1034784737 /nfs/dbraw/zinc/78/47/37/1034784737.db2.gz MLQKEPSJWZRHAH-RTBURBONSA-N 2 2 369.444 2.570 20 30 FFEDLP C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001139358603 1035071552 /nfs/dbraw/zinc/07/15/52/1035071552.db2.gz QMFTXEURKSVNLJ-NRFANRHFSA-N 2 2 350.466 2.873 20 30 FFEDLP C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001139358603 1035071558 /nfs/dbraw/zinc/07/15/58/1035071558.db2.gz QMFTXEURKSVNLJ-NRFANRHFSA-N 2 2 350.466 2.873 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139767575 1035225897 /nfs/dbraw/zinc/22/58/97/1035225897.db2.gz WSGJBDWGHZUPMA-UHFFFAOYSA-N 2 2 365.477 2.901 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001139767575 1035225901 /nfs/dbraw/zinc/22/59/01/1035225901.db2.gz WSGJBDWGHZUPMA-UHFFFAOYSA-N 2 2 365.477 2.901 20 30 FFEDLP N#Cc1cc(F)cc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001139877048 1035263929 /nfs/dbraw/zinc/26/39/29/1035263929.db2.gz VVFHOGLNYDFPOB-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP N#Cc1cc(F)cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001139877048 1035263932 /nfs/dbraw/zinc/26/39/32/1035263932.db2.gz VVFHOGLNYDFPOB-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001228853576 1036360751 /nfs/dbraw/zinc/36/07/51/1036360751.db2.gz SKYGPLAKXBYXIA-RRFJBIMHSA-N 2 2 369.307 2.760 20 30 FFEDLP CC[N@H+](CCC#N)Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237095381 1038442415 /nfs/dbraw/zinc/44/24/15/1038442415.db2.gz GSTVHIOTVOMWDL-UHFFFAOYSA-N 2 2 365.319 2.936 20 30 FFEDLP CC[N@@H+](CCC#N)Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237095381 1038442422 /nfs/dbraw/zinc/44/24/22/1038442422.db2.gz GSTVHIOTVOMWDL-UHFFFAOYSA-N 2 2 365.319 2.936 20 30 FFEDLP C=CCOc1ccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)n2)c(F)c1 ZINC001247867473 1040005545 /nfs/dbraw/zinc/00/55/45/1040005545.db2.gz GPDBDGGKGNUVMX-INIZCTEOSA-N 2 2 358.417 2.987 20 30 FFEDLP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001278747752 1040447966 /nfs/dbraw/zinc/44/79/66/1040447966.db2.gz SWCSLEQVUDDMAL-RBSFLKMASA-N 2 2 352.429 2.553 20 30 FFEDLP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001278747752 1040447972 /nfs/dbraw/zinc/44/79/72/1040447972.db2.gz SWCSLEQVUDDMAL-RBSFLKMASA-N 2 2 352.429 2.553 20 30 FFEDLP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001278747752 1040447983 /nfs/dbraw/zinc/44/79/83/1040447983.db2.gz SWCSLEQVUDDMAL-RBSFLKMASA-N 2 2 352.429 2.553 20 30 FFEDLP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001278747752 1040447994 /nfs/dbraw/zinc/44/79/94/1040447994.db2.gz SWCSLEQVUDDMAL-RBSFLKMASA-N 2 2 352.429 2.553 20 30 FFEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001261552657 1041305296 /nfs/dbraw/zinc/30/52/96/1041305296.db2.gz ZAVITPTYAYSMHY-INIZCTEOSA-N 2 2 368.485 2.899 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001262948226 1041981951 /nfs/dbraw/zinc/98/19/51/1041981951.db2.gz FHBWQYMYVJCYDX-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001262948226 1041981961 /nfs/dbraw/zinc/98/19/61/1041981961.db2.gz FHBWQYMYVJCYDX-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001262952244 1041985084 /nfs/dbraw/zinc/98/50/84/1041985084.db2.gz NVGVNCJWOONWEY-FHWLQOOXSA-N 2 2 372.561 2.617 20 30 FFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1OCC ZINC001264529954 1042702294 /nfs/dbraw/zinc/70/22/94/1042702294.db2.gz RRPHSTNICHTDBQ-XAUMDUMWSA-N 2 2 370.497 2.984 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC001264646290 1042767076 /nfs/dbraw/zinc/76/70/76/1042767076.db2.gz ITTGYPPFMAKKBG-SCTDSRPQSA-N 2 2 357.498 2.768 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC001264646290 1042767079 /nfs/dbraw/zinc/76/70/79/1042767079.db2.gz ITTGYPPFMAKKBG-SCTDSRPQSA-N 2 2 357.498 2.768 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001264656996 1042774308 /nfs/dbraw/zinc/77/43/08/1042774308.db2.gz IQQWPNUXPWXEGA-MOPGFXCFSA-N 2 2 358.530 2.879 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001264656996 1042774312 /nfs/dbraw/zinc/77/43/12/1042774312.db2.gz IQQWPNUXPWXEGA-MOPGFXCFSA-N 2 2 358.530 2.879 20 30 FFEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001279224926 1042952030 /nfs/dbraw/zinc/95/20/30/1042952030.db2.gz UYEXFBMKJXTFIP-YQQQUEKLSA-N 2 2 351.498 2.686 20 30 FFEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001279224926 1042952031 /nfs/dbraw/zinc/95/20/31/1042952031.db2.gz UYEXFBMKJXTFIP-YQQQUEKLSA-N 2 2 351.498 2.686 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)c(OC)c1)C2 ZINC001238409179 1043690538 /nfs/dbraw/zinc/69/05/38/1043690538.db2.gz WSVUYHPRIPIZRS-IRLDBZIGSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)c(OC)c1)C2 ZINC001238409179 1043690545 /nfs/dbraw/zinc/69/05/45/1043690545.db2.gz WSVUYHPRIPIZRS-IRLDBZIGSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC001238409179 1043690552 /nfs/dbraw/zinc/69/05/52/1043690552.db2.gz WSVUYHPRIPIZRS-IRLDBZIGSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC001238409179 1043690561 /nfs/dbraw/zinc/69/05/61/1043690561.db2.gz WSVUYHPRIPIZRS-IRLDBZIGSA-N 2 2 369.509 2.747 20 30 FFEDLP C[C@@H](COc1ccccc1)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324648444 1046146033 /nfs/dbraw/zinc/14/60/33/1046146033.db2.gz KFZIEEOTEZYPEI-KRWDZBQOSA-N 2 2 370.472 2.969 20 30 FFEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001333338461 1048847071 /nfs/dbraw/zinc/84/70/71/1048847071.db2.gz ZFHPTQYZRSSXRR-CQSZACIVSA-N 2 2 361.877 2.957 20 30 FFEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001293324160 1049531515 /nfs/dbraw/zinc/53/15/15/1049531515.db2.gz ZOERPNUORQBTLR-INIZCTEOSA-N 2 2 353.869 2.678 20 30 FFEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001293324160 1049531529 /nfs/dbraw/zinc/53/15/29/1049531529.db2.gz ZOERPNUORQBTLR-INIZCTEOSA-N 2 2 353.869 2.678 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001340263781 1050668672 /nfs/dbraw/zinc/66/86/72/1050668672.db2.gz ISPCSROMHPRLAQ-SQNIBIBYSA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001340263781 1050668675 /nfs/dbraw/zinc/66/86/75/1050668675.db2.gz ISPCSROMHPRLAQ-SQNIBIBYSA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001340263781 1050668677 /nfs/dbraw/zinc/66/86/77/1050668677.db2.gz ISPCSROMHPRLAQ-SQNIBIBYSA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001340263781 1050668678 /nfs/dbraw/zinc/66/86/78/1050668678.db2.gz ISPCSROMHPRLAQ-SQNIBIBYSA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001340589663 1050975537 /nfs/dbraw/zinc/97/55/37/1050975537.db2.gz ZNQMQHBUFXRTLD-MJGOQNOKSA-N 2 2 370.545 2.513 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001340589663 1050975545 /nfs/dbraw/zinc/97/55/45/1050975545.db2.gz ZNQMQHBUFXRTLD-MJGOQNOKSA-N 2 2 370.545 2.513 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308165621 1052422409 /nfs/dbraw/zinc/42/24/09/1052422409.db2.gz PREFIFFIZPUSJT-DLBZAZTESA-N 2 2 359.518 2.826 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001308165621 1052422412 /nfs/dbraw/zinc/42/24/12/1052422412.db2.gz PREFIFFIZPUSJT-DLBZAZTESA-N 2 2 359.518 2.826 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001351949720 1055082938 /nfs/dbraw/zinc/08/29/38/1055082938.db2.gz RNAAORULUXGIJD-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001351949720 1055082948 /nfs/dbraw/zinc/08/29/48/1055082948.db2.gz RNAAORULUXGIJD-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001515298221 1059515465 /nfs/dbraw/zinc/51/54/65/1059515465.db2.gz XUISKPUXPAGKTQ-IEBWSBKVSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001515298221 1059515479 /nfs/dbraw/zinc/51/54/79/1059515479.db2.gz XUISKPUXPAGKTQ-IEBWSBKVSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001515298221 1059515497 /nfs/dbraw/zinc/51/54/97/1059515497.db2.gz XUISKPUXPAGKTQ-IEBWSBKVSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001515298221 1059515511 /nfs/dbraw/zinc/51/55/11/1059515511.db2.gz XUISKPUXPAGKTQ-IEBWSBKVSA-N 2 2 372.561 2.932 20 30 FFEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001521469310 1060605501 /nfs/dbraw/zinc/60/55/01/1060605501.db2.gz GPKAJGFMWMNDGR-INIZCTEOSA-N 2 2 366.469 2.945 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001523797488 1062628306 /nfs/dbraw/zinc/62/83/06/1062628306.db2.gz YTKJOJMGBBIVKQ-GOSISDBHSA-N 2 2 360.550 2.618 20 30 FFEDLP N#Cc1ccc(OC2CC[NH+](Cc3nc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001580071469 1078744225 /nfs/dbraw/zinc/74/42/25/1078744225.db2.gz KEUNMZGQMSISPD-UHFFFAOYSA-N 2 2 354.479 2.704 20 30 FFEDLP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c[nH+]1 ZINC000367221200 512392414 /nfs/dbraw/zinc/39/24/14/512392414.db2.gz FRKMGMCMYIRQOJ-UHFFFAOYSA-N 2 2 363.465 2.732 20 30 FFEDLP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c[nH+]1 ZINC000367221200 512392418 /nfs/dbraw/zinc/39/24/18/512392418.db2.gz FRKMGMCMYIRQOJ-UHFFFAOYSA-N 2 2 363.465 2.732 20 30 FFEDLP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000156654413 508457232 /nfs/dbraw/zinc/45/72/32/508457232.db2.gz RDISVXZGXJHQJV-QFIPXVFZSA-N 2 2 364.493 2.626 20 30 FFEDLP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000156654413 508457235 /nfs/dbraw/zinc/45/72/35/508457235.db2.gz RDISVXZGXJHQJV-QFIPXVFZSA-N 2 2 364.493 2.626 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000118843559 508682943 /nfs/dbraw/zinc/68/29/43/508682943.db2.gz LSBAXYIJUITLNV-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000118843559 508682946 /nfs/dbraw/zinc/68/29/46/508682946.db2.gz LSBAXYIJUITLNV-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000118843559 508682947 /nfs/dbraw/zinc/68/29/47/508682947.db2.gz LSBAXYIJUITLNV-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000118843559 508682950 /nfs/dbraw/zinc/68/29/50/508682950.db2.gz LSBAXYIJUITLNV-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000131412681 508928111 /nfs/dbraw/zinc/92/81/11/508928111.db2.gz PRJDUVOZEHJLEY-OAQYLSRUSA-N 2 2 353.466 2.539 20 30 FFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182822908 509444472 /nfs/dbraw/zinc/44/44/72/509444472.db2.gz CHACUFXSAORQBC-AZUAARDMSA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182822908 509444479 /nfs/dbraw/zinc/44/44/79/509444479.db2.gz CHACUFXSAORQBC-AZUAARDMSA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182822908 509444483 /nfs/dbraw/zinc/44/44/83/509444483.db2.gz CHACUFXSAORQBC-AZUAARDMSA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182822908 509444493 /nfs/dbraw/zinc/44/44/93/509444493.db2.gz CHACUFXSAORQBC-AZUAARDMSA-N 2 2 354.498 2.717 20 30 FFEDLP C=CC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000248728444 509455910 /nfs/dbraw/zinc/45/59/10/509455910.db2.gz NRWKMXFGWQZIMY-UXHICEINSA-N 2 2 363.933 2.952 20 30 FFEDLP C=CC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000248728444 509455915 /nfs/dbraw/zinc/45/59/15/509455915.db2.gz NRWKMXFGWQZIMY-UXHICEINSA-N 2 2 363.933 2.952 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000187026550 510015164 /nfs/dbraw/zinc/01/51/64/510015164.db2.gz IVCPGRMMDIXZMP-AOIWGVFYSA-N 2 2 372.513 2.612 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000187026550 510015168 /nfs/dbraw/zinc/01/51/68/510015168.db2.gz IVCPGRMMDIXZMP-AOIWGVFYSA-N 2 2 372.513 2.612 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)CC1 ZINC000177904407 510318112 /nfs/dbraw/zinc/31/81/12/510318112.db2.gz ZABNZWZDDSKXTQ-OAHLLOKOSA-N 2 2 361.486 2.661 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(F)c1 ZINC000269461875 510417579 /nfs/dbraw/zinc/41/75/79/510417579.db2.gz YFWSCYLPIGQENP-UHFFFAOYSA-N 2 2 369.440 2.698 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@]3(O)CCc4ccccc43)CC2)cc1 ZINC000182066285 510737835 /nfs/dbraw/zinc/73/78/35/510737835.db2.gz FESJMYBPCCFCKR-QHCPKHFHSA-N 2 2 361.489 2.946 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247013273 510799035 /nfs/dbraw/zinc/79/90/35/510799035.db2.gz QLCYZEUOXDPRRW-MSOLQXFVSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247013273 510799040 /nfs/dbraw/zinc/79/90/40/510799040.db2.gz QLCYZEUOXDPRRW-MSOLQXFVSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247013273 510799043 /nfs/dbraw/zinc/79/90/43/510799043.db2.gz QLCYZEUOXDPRRW-MSOLQXFVSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247013273 510799047 /nfs/dbraw/zinc/79/90/47/510799047.db2.gz QLCYZEUOXDPRRW-MSOLQXFVSA-N 2 2 372.513 2.604 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247234004 510853582 /nfs/dbraw/zinc/85/35/82/510853582.db2.gz ZLABXXZJGUZFGM-WOJBJXKFSA-N 2 2 355.482 2.824 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247234004 510853583 /nfs/dbraw/zinc/85/35/83/510853583.db2.gz ZLABXXZJGUZFGM-WOJBJXKFSA-N 2 2 355.482 2.824 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)CC1 ZINC000330198172 510935462 /nfs/dbraw/zinc/93/54/62/510935462.db2.gz SWQDPFFJWSMDBZ-INIZCTEOSA-N 2 2 364.465 2.505 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)CC1 ZINC000330198172 510935463 /nfs/dbraw/zinc/93/54/63/510935463.db2.gz SWQDPFFJWSMDBZ-INIZCTEOSA-N 2 2 364.465 2.505 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282621137 511048061 /nfs/dbraw/zinc/04/80/61/511048061.db2.gz ZVBAQURKFGKKMW-LJQANCHMSA-N 2 2 356.514 2.639 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282621137 511048065 /nfs/dbraw/zinc/04/80/65/511048065.db2.gz ZVBAQURKFGKKMW-LJQANCHMSA-N 2 2 356.514 2.639 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)[nH+]c(C)n3C2CC2)CC1 ZINC000282979337 511186788 /nfs/dbraw/zinc/18/67/88/511186788.db2.gz SXEHABKWNMGFJT-UHFFFAOYSA-N 2 2 350.466 2.641 20 30 FFEDLP C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000362677756 511216240 /nfs/dbraw/zinc/21/62/40/511216240.db2.gz UWCDUXGZYZUUDU-WIYYLYMNSA-N 2 2 355.526 2.973 20 30 FFEDLP C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000362677756 511216246 /nfs/dbraw/zinc/21/62/46/511216246.db2.gz UWCDUXGZYZUUDU-WIYYLYMNSA-N 2 2 355.526 2.973 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000292094543 511462810 /nfs/dbraw/zinc/46/28/10/511462810.db2.gz HDAYHEBQUIKQSI-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000292094543 511462816 /nfs/dbraw/zinc/46/28/16/511462816.db2.gz HDAYHEBQUIKQSI-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000292094543 511462824 /nfs/dbraw/zinc/46/28/24/511462824.db2.gz HDAYHEBQUIKQSI-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1C ZINC000292094543 511462826 /nfs/dbraw/zinc/46/28/26/511462826.db2.gz HDAYHEBQUIKQSI-OAQYLSRUSA-N 2 2 354.498 2.578 20 30 FFEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000389290823 512900771 /nfs/dbraw/zinc/90/07/71/512900771.db2.gz BZUMYKJTBMSLHV-NHCUHLMSSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000389290823 512900777 /nfs/dbraw/zinc/90/07/77/512900777.db2.gz BZUMYKJTBMSLHV-NHCUHLMSSA-N 2 2 365.477 2.552 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525426 513808602 /nfs/dbraw/zinc/80/86/02/513808602.db2.gz GBENVIJJGZDXQK-RXVVDRJESA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525426 513808609 /nfs/dbraw/zinc/80/86/09/513808609.db2.gz GBENVIJJGZDXQK-RXVVDRJESA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525426 513808615 /nfs/dbraw/zinc/80/86/15/513808615.db2.gz GBENVIJJGZDXQK-RXVVDRJESA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525426 513808620 /nfs/dbraw/zinc/80/86/20/513808620.db2.gz GBENVIJJGZDXQK-RXVVDRJESA-N 2 2 368.525 2.885 20 30 FFEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C#N)cc3OC)CC2)CC1 ZINC000420977462 514416825 /nfs/dbraw/zinc/41/68/25/514416825.db2.gz IEVSVKABCVQZOK-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C#N)cc3OC)CC2)CC1 ZINC000420977462 514416842 /nfs/dbraw/zinc/41/68/42/514416842.db2.gz IEVSVKABCVQZOK-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(C#N)cc3OC)CC2)CC1 ZINC000420977462 514416849 /nfs/dbraw/zinc/41/68/49/514416849.db2.gz IEVSVKABCVQZOK-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(C#N)cc3OC)CC2)CC1 ZINC000420977462 514416855 /nfs/dbraw/zinc/41/68/55/514416855.db2.gz IEVSVKABCVQZOK-UHFFFAOYSA-N 2 2 356.514 2.559 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470979702 514706473 /nfs/dbraw/zinc/70/64/73/514706473.db2.gz NRTUEXLAJQBJJJ-AZUAARDMSA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470979702 514706481 /nfs/dbraw/zinc/70/64/81/514706481.db2.gz NRTUEXLAJQBJJJ-AZUAARDMSA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470979702 514706487 /nfs/dbraw/zinc/70/64/87/514706487.db2.gz NRTUEXLAJQBJJJ-AZUAARDMSA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470979702 514706491 /nfs/dbraw/zinc/70/64/91/514706491.db2.gz NRTUEXLAJQBJJJ-AZUAARDMSA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@@H](CC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000476537296 515091944 /nfs/dbraw/zinc/09/19/44/515091944.db2.gz BQDKTWKNARYLNS-JXFKEZNVSA-N 2 2 350.466 2.585 20 30 FFEDLP C[C@@H](CC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000476537296 515091953 /nfs/dbraw/zinc/09/19/53/515091953.db2.gz BQDKTWKNARYLNS-JXFKEZNVSA-N 2 2 350.466 2.585 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(C#N)ccc1F ZINC000511842804 516050217 /nfs/dbraw/zinc/05/02/17/516050217.db2.gz LPSYWNBCVQSKMM-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(C#N)ccc1F ZINC000511842804 516050227 /nfs/dbraw/zinc/05/02/27/516050227.db2.gz LPSYWNBCVQSKMM-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000507420615 516207548 /nfs/dbraw/zinc/20/75/48/516207548.db2.gz JKAAQIFVRFDWLR-IBGZPJMESA-N 2 2 354.498 2.906 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C(N)=O)cc1 ZINC000523732902 516560782 /nfs/dbraw/zinc/56/07/82/516560782.db2.gz AKWVJJPNYPUNQP-QFBILLFUSA-N 2 2 368.506 2.648 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C(N)=O)cc1 ZINC000523732902 516560793 /nfs/dbraw/zinc/56/07/93/516560793.db2.gz AKWVJJPNYPUNQP-QFBILLFUSA-N 2 2 368.506 2.648 20 30 FFEDLP C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C)c1ccc(C#N)cc1Cl ZINC000551935152 516969274 /nfs/dbraw/zinc/96/92/74/516969274.db2.gz KOQNUYVLHPRGMI-XAYKYTGQSA-N 2 2 371.872 2.815 20 30 FFEDLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000538043954 517449754 /nfs/dbraw/zinc/44/97/54/517449754.db2.gz OEHQLTHLQNBODN-QZTJIDSGSA-N 2 2 357.498 2.648 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000533866349 517647718 /nfs/dbraw/zinc/64/77/18/517647718.db2.gz ATHZPLKPTAIPQW-SFHVURJKSA-N 2 2 365.481 2.773 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000533866349 517647727 /nfs/dbraw/zinc/64/77/27/517647727.db2.gz ATHZPLKPTAIPQW-SFHVURJKSA-N 2 2 365.481 2.773 20 30 FFEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000572881736 518405156 /nfs/dbraw/zinc/40/51/56/518405156.db2.gz HYEALZDKJMVGSG-KRWDZBQOSA-N 2 2 352.486 2.545 20 30 FFEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000572881736 518405165 /nfs/dbraw/zinc/40/51/65/518405165.db2.gz HYEALZDKJMVGSG-KRWDZBQOSA-N 2 2 352.486 2.545 20 30 FFEDLP C=CCOc1cccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000565110130 518791950 /nfs/dbraw/zinc/79/19/50/518791950.db2.gz QDWGRCFROPEQQG-WCRBZPEASA-N 2 2 355.526 2.994 20 30 FFEDLP C=CCOc1cccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000565110130 518791957 /nfs/dbraw/zinc/79/19/57/518791957.db2.gz QDWGRCFROPEQQG-WCRBZPEASA-N 2 2 355.526 2.994 20 30 FFEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3nc(C#N)cs3)CC2)c1 ZINC000577429516 519075283 /nfs/dbraw/zinc/07/52/83/519075283.db2.gz VRSNYNCQUZLSNU-UHFFFAOYSA-N 2 2 355.511 2.625 20 30 FFEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000575120955 519511959 /nfs/dbraw/zinc/51/19/59/519511959.db2.gz TWPDMKXEXYTRAV-DOTOQJQBSA-N 2 2 366.868 2.581 20 30 FFEDLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C)C1 ZINC000594442700 519968993 /nfs/dbraw/zinc/96/89/93/519968993.db2.gz HXDLQHQQUWMNOR-PKOBYXMFSA-N 2 2 372.513 2.529 20 30 FFEDLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C)C1 ZINC000594442700 519969000 /nfs/dbraw/zinc/96/90/00/519969000.db2.gz HXDLQHQQUWMNOR-PKOBYXMFSA-N 2 2 372.513 2.529 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000592294872 520321260 /nfs/dbraw/zinc/32/12/60/520321260.db2.gz QHXJLNCRFSMLHO-UHFFFAOYSA-N 2 2 367.497 2.771 20 30 FFEDLP CCc1ccc([C@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)[NH+](C)C)cc1 ZINC000600713526 520414826 /nfs/dbraw/zinc/41/48/26/520414826.db2.gz BNKLHTSQKUAOHF-UXHICEINSA-N 2 2 359.514 2.513 20 30 FFEDLP COCCc1ncc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000601130114 520650070 /nfs/dbraw/zinc/65/00/70/520650070.db2.gz FHDCNODRLDOUQZ-UHFFFAOYSA-N 2 2 370.522 2.958 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccn4cc[nH+]c4c3)CC2)c1 ZINC000593197662 520820606 /nfs/dbraw/zinc/82/06/06/520820606.db2.gz JNJUTNMCOWHLMA-UHFFFAOYSA-N 2 2 374.448 2.992 20 30 FFEDLP Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c(C#N)c(N[C@H](C)Cn2cc[nH+]c2)[nH+]1 ZINC000596079323 520898950 /nfs/dbraw/zinc/89/89/50/520898950.db2.gz OGEMRWXWXYFBIH-HZPDHXFCSA-N 3 2 364.457 2.656 20 30 FFEDLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc(F)c2C#N)c2ccccc2)CC1 ZINC000602000808 521069647 /nfs/dbraw/zinc/06/96/47/521069647.db2.gz KZUVUEQBLFIRAA-NRFANRHFSA-N 2 2 352.457 2.776 20 30 FFEDLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1CC[NH+]3CCCC[C@H]13)CC2 ZINC000330346339 568277724 /nfs/dbraw/zinc/27/77/24/568277724.db2.gz GKGQIBPPAPTXPF-QZTJIDSGSA-N 2 2 373.497 2.645 20 30 FFEDLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1CC[NH+]3CCCC[C@H]13)CC2 ZINC000330346339 568277725 /nfs/dbraw/zinc/27/77/25/568277725.db2.gz GKGQIBPPAPTXPF-QZTJIDSGSA-N 2 2 373.497 2.645 20 30 FFEDLP COc1cc2c(cc1OC)C[NH+](CC(=O)N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000330346339 568277726 /nfs/dbraw/zinc/27/77/26/568277726.db2.gz GKGQIBPPAPTXPF-QZTJIDSGSA-N 2 2 373.497 2.645 20 30 FFEDLP COc1cc2c(cc1OC)C[NH+](CC(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000330346339 568277727 /nfs/dbraw/zinc/27/77/27/568277727.db2.gz GKGQIBPPAPTXPF-QZTJIDSGSA-N 2 2 373.497 2.645 20 30 FFEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)N(C)Cc1cccn1C ZINC000261986529 729656535 /nfs/dbraw/zinc/65/65/35/729656535.db2.gz QFMDTJWLMUZDOL-OAHLLOKOSA-N 2 2 359.543 2.541 20 30 FFEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)N(C)Cc1cccn1C ZINC000261986529 729656538 /nfs/dbraw/zinc/65/65/38/729656538.db2.gz QFMDTJWLMUZDOL-OAHLLOKOSA-N 2 2 359.543 2.541 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000877313941 732343400 /nfs/dbraw/zinc/34/34/00/732343400.db2.gz LWQLPUMGDLHLRK-KRWDZBQOSA-N 2 2 358.873 2.674 20 30 FFEDLP C=C(C[NH+](C)C)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000764247022 737005176 /nfs/dbraw/zinc/00/51/76/737005176.db2.gz KMDNBNAYWTWELW-MRXNPFEDSA-N 2 2 353.869 2.850 20 30 FFEDLP C#C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000847022069 748600747 /nfs/dbraw/zinc/60/07/47/748600747.db2.gz RUUIOXMDXQIVRE-KRWDZBQOSA-N 2 2 357.523 2.519 20 30 FFEDLP C#C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000847022069 748600752 /nfs/dbraw/zinc/60/07/52/748600752.db2.gz RUUIOXMDXQIVRE-KRWDZBQOSA-N 2 2 357.523 2.519 20 30 FFEDLP N#Cc1cccc(C[NH2+]C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1 ZINC001026508365 971614999 /nfs/dbraw/zinc/61/49/99/971614999.db2.gz RPVMWSJBGXIVAL-CSODTCANSA-N 2 2 363.465 2.602 20 30 FFEDLP N#Cc1cccc(C[NH2+]C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1 ZINC001026508365 971615004 /nfs/dbraw/zinc/61/50/04/971615004.db2.gz RPVMWSJBGXIVAL-CSODTCANSA-N 2 2 363.465 2.602 20 30 FFEDLP N#Cc1ccc(C[NH2+]C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)s1 ZINC001026509338 971616716 /nfs/dbraw/zinc/61/67/16/971616716.db2.gz MAGZELQKOCFCJQ-DNDXXGFKSA-N 2 2 369.494 2.664 20 30 FFEDLP N#Cc1ccc(C[NH2+]C2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)s1 ZINC001026509338 971616718 /nfs/dbraw/zinc/61/67/18/971616718.db2.gz MAGZELQKOCFCJQ-DNDXXGFKSA-N 2 2 369.494 2.664 20 30 FFEDLP CCO[C@@H]1C[C@H](NC(NC2CCN(c3cccc[nH+]3)CC2)=[NH+]C)C12CCC2 ZINC000262340864 971959498 /nfs/dbraw/zinc/95/94/98/971959498.db2.gz COFVDNTWXBFRNB-ZWKOTPCHSA-N 2 2 371.529 2.563 20 30 FFEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCOCC1 ZINC000160635164 963180521 /nfs/dbraw/zinc/18/05/21/963180521.db2.gz YDLUUMKFDUYQFC-CQSZACIVSA-N 2 2 374.407 2.669 20 30 FFEDLP C[NH+]=C(NC[C@H](c1cccs1)N(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261940425 964770153 /nfs/dbraw/zinc/77/01/53/964770153.db2.gz DKJOLLSFADDDJS-GVDBMIGSSA-N 2 2 374.558 2.706 20 30 FFEDLP Cn1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C1CC1 ZINC000328896963 965025967 /nfs/dbraw/zinc/02/59/67/965025967.db2.gz VYPBYWWJMMUSTK-UHFFFAOYSA-N 2 2 359.518 2.552 20 30 FFEDLP CC[NH+]=C(NC[C@H](O)c1cccc(C)c1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261974483 965112980 /nfs/dbraw/zinc/11/29/80/965112980.db2.gz NKZNOPCNBJLLCH-SXLOBPIMSA-N 2 2 369.513 2.774 20 30 FFEDLP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261973172 965115045 /nfs/dbraw/zinc/11/50/45/965115045.db2.gz NFSNWHNRIODJGH-AVEIZBFRSA-N 2 2 359.518 2.545 20 30 FFEDLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001087196343 965876535 /nfs/dbraw/zinc/87/65/35/965876535.db2.gz KMEBTZHKHICSAC-CVEARBPZSA-N 2 2 371.510 2.623 20 30 FFEDLP CC[NH+]1CCC([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000157460793 967656876 /nfs/dbraw/zinc/65/68/76/967656876.db2.gz KXIHOAXARWBJNN-QGZVFWFLSA-N 2 2 363.465 2.640 20 30 FFEDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000157460793 967656883 /nfs/dbraw/zinc/65/68/83/967656883.db2.gz KXIHOAXARWBJNN-QGZVFWFLSA-N 2 2 363.465 2.640 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1c1ccccc1 ZINC001211625946 968299875 /nfs/dbraw/zinc/29/98/75/968299875.db2.gz ZOPDAGYVVHIJAN-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C/C=C/c2ccccc2)[C@@H]1CC ZINC001087607140 968342471 /nfs/dbraw/zinc/34/24/71/968342471.db2.gz NITVNGDLVKKGGW-KDVWANTLSA-N 2 2 365.521 2.767 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C/C=C/c2ccccc2)[C@@H]1CC ZINC001087607140 968342481 /nfs/dbraw/zinc/34/24/81/968342481.db2.gz NITVNGDLVKKGGW-KDVWANTLSA-N 2 2 365.521 2.767 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C/C=C/c2ccccc2)[C@@H]1CC ZINC001087607140 968342490 /nfs/dbraw/zinc/34/24/90/968342490.db2.gz NITVNGDLVKKGGW-KDVWANTLSA-N 2 2 365.521 2.767 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C/C=C/c2ccccc2)[C@@H]1CC ZINC001087607140 968342495 /nfs/dbraw/zinc/34/24/95/968342495.db2.gz NITVNGDLVKKGGW-KDVWANTLSA-N 2 2 365.521 2.767 20 30 FFEDLP C=CCCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000660714006 972615892 /nfs/dbraw/zinc/61/58/92/972615892.db2.gz WVBBUXRJOCIMOE-SFHVURJKSA-N 2 2 362.562 2.981 20 30 FFEDLP C=CCCC1(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCC1 ZINC000660714006 972615899 /nfs/dbraw/zinc/61/58/99/972615899.db2.gz WVBBUXRJOCIMOE-SFHVURJKSA-N 2 2 362.562 2.981 20 30 FFEDLP C=CC[C@]1(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CCC[NH2+]1 ZINC000662718144 973756477 /nfs/dbraw/zinc/75/64/77/973756477.db2.gz GVJKGFKAUYUPOF-LAUBAEHRSA-N 2 2 357.498 2.599 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211733857 977661298 /nfs/dbraw/zinc/66/12/98/977661298.db2.gz FBBKSMNOPROYJE-VQTJNVASSA-N 2 2 352.482 2.824 20 30 FFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000261792658 978320818 /nfs/dbraw/zinc/32/08/18/978320818.db2.gz QOBWHNFXLQQESN-APWZRJJASA-N 2 2 368.529 2.687 20 30 FFEDLP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968860867 1014590783 /nfs/dbraw/zinc/59/07/83/1014590783.db2.gz AOAFHPLLUZSKQL-HSALFYBXSA-N 2 2 368.525 2.538 20 30 FFEDLP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968860867 1014590791 /nfs/dbraw/zinc/59/07/91/1014590791.db2.gz AOAFHPLLUZSKQL-HSALFYBXSA-N 2 2 368.525 2.538 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088663136 982238522 /nfs/dbraw/zinc/23/85/22/982238522.db2.gz SOPRSMQEJAJAMQ-KDOFPFPSSA-N 2 2 359.433 2.827 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088663136 982238531 /nfs/dbraw/zinc/23/85/31/982238531.db2.gz SOPRSMQEJAJAMQ-KDOFPFPSSA-N 2 2 359.433 2.827 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151200193 984209113 /nfs/dbraw/zinc/20/91/13/984209113.db2.gz XOYDJFPOWFKKOJ-QGZVFWFLSA-N 2 2 370.522 2.868 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001107454317 984559039 /nfs/dbraw/zinc/55/90/39/984559039.db2.gz BMFKTJQZUSUIBD-DBXWQHBBSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001107454317 984559042 /nfs/dbraw/zinc/55/90/42/984559042.db2.gz BMFKTJQZUSUIBD-DBXWQHBBSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](c3cccnc3)[NH+](C)C)CCC[C@@H]12 ZINC001107647861 984942783 /nfs/dbraw/zinc/94/27/83/984942783.db2.gz XKMRKLKREIVQBG-SFHLNBCPSA-N 2 2 356.514 2.621 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](c3cccnc3)[NH+](C)C)CCC[C@@H]12 ZINC001107647861 984942788 /nfs/dbraw/zinc/94/27/88/984942788.db2.gz XKMRKLKREIVQBG-SFHLNBCPSA-N 2 2 356.514 2.621 20 30 FFEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC(C)(C)C1 ZINC001089389550 990260301 /nfs/dbraw/zinc/26/03/01/990260301.db2.gz SBSGZZAVTSDZOB-GUDVDZBRSA-N 2 2 370.541 2.947 20 30 FFEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC(C)(C)C1 ZINC001089389550 990260310 /nfs/dbraw/zinc/26/03/10/990260310.db2.gz SBSGZZAVTSDZOB-GUDVDZBRSA-N 2 2 370.541 2.947 20 30 FFEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000923565012 991257201 /nfs/dbraw/zinc/25/72/01/991257201.db2.gz BNIAEPWSFYMAEI-RBUKOAKNSA-N 2 2 368.525 2.707 20 30 FFEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000923565012 991257211 /nfs/dbraw/zinc/25/72/11/991257211.db2.gz BNIAEPWSFYMAEI-RBUKOAKNSA-N 2 2 368.525 2.707 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1cccc(F)c1 ZINC001079198863 991874055 /nfs/dbraw/zinc/87/40/55/991874055.db2.gz WDBONVZUXLMENV-ZIFCJYIRSA-N 2 2 368.456 2.739 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1ccccc1F ZINC001079299002 991986920 /nfs/dbraw/zinc/98/69/20/991986920.db2.gz RKOIWTFMJRILMR-PDOICOKGSA-N 2 2 368.456 2.813 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001079299002 991986928 /nfs/dbraw/zinc/98/69/28/991986928.db2.gz RKOIWTFMJRILMR-PDOICOKGSA-N 2 2 368.456 2.813 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001079718504 992357381 /nfs/dbraw/zinc/35/73/81/992357381.db2.gz GKQGIVJBGHYAEO-NCXUSEDFSA-N 2 2 356.514 2.557 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001079718504 992357391 /nfs/dbraw/zinc/35/73/91/992357391.db2.gz GKQGIVJBGHYAEO-NCXUSEDFSA-N 2 2 356.514 2.557 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1 ZINC001081178321 993738251 /nfs/dbraw/zinc/73/82/51/993738251.db2.gz LPGSVNSALQAWQJ-CMKODMSKSA-N 2 2 364.493 2.990 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881125874 1016155450 /nfs/dbraw/zinc/15/54/50/1016155450.db2.gz VYTDPIJZGYLPBP-UHFFFAOYSA-N 2 2 369.513 2.925 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881125874 1016155454 /nfs/dbraw/zinc/15/54/54/1016155454.db2.gz VYTDPIJZGYLPBP-UHFFFAOYSA-N 2 2 369.513 2.925 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001085207431 999162419 /nfs/dbraw/zinc/16/24/19/999162419.db2.gz TVKMTZSXIBIJCD-HZPDHXFCSA-N 2 2 350.894 2.531 20 30 FFEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000740898938 999690489 /nfs/dbraw/zinc/69/04/89/999690489.db2.gz HZBFVGHXVCRRNP-JTHBVZDNSA-N 2 2 364.489 2.671 20 30 FFEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000740898938 999690490 /nfs/dbraw/zinc/69/04/90/999690490.db2.gz HZBFVGHXVCRRNP-JTHBVZDNSA-N 2 2 364.489 2.671 20 30 FFEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741257580 999716974 /nfs/dbraw/zinc/71/69/74/999716974.db2.gz FNOPVVPNMOESBL-XMSQKQJNSA-N 2 2 365.477 2.704 20 30 FFEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000741257580 999716976 /nfs/dbraw/zinc/71/69/76/999716976.db2.gz FNOPVVPNMOESBL-XMSQKQJNSA-N 2 2 365.477 2.704 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[N@@H+]1C ZINC000741791252 999743138 /nfs/dbraw/zinc/74/31/38/999743138.db2.gz SSILJLFAPGVWCC-PVAVHDDUSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[N@H+]1C ZINC000741791252 999743139 /nfs/dbraw/zinc/74/31/39/999743139.db2.gz SSILJLFAPGVWCC-PVAVHDDUSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[NH+]1C ZINC000741791252 999743140 /nfs/dbraw/zinc/74/31/40/999743140.db2.gz SSILJLFAPGVWCC-PVAVHDDUSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[NH+]1C ZINC000741791252 999743141 /nfs/dbraw/zinc/74/31/41/999743141.db2.gz SSILJLFAPGVWCC-PVAVHDDUSA-N 2 2 363.465 2.638 20 30 FFEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001096608043 1016348940 /nfs/dbraw/zinc/34/89/40/1016348940.db2.gz OFEHBARMLBDKCE-IVAOSVALSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001096608043 1016348948 /nfs/dbraw/zinc/34/89/48/1016348948.db2.gz OFEHBARMLBDKCE-IVAOSVALSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001096608043 1016348951 /nfs/dbraw/zinc/34/89/51/1016348951.db2.gz OFEHBARMLBDKCE-IVAOSVALSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001096608043 1016348958 /nfs/dbraw/zinc/34/89/58/1016348958.db2.gz OFEHBARMLBDKCE-IVAOSVALSA-N 2 2 366.509 2.654 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](c1cccnc1)[NH+](C)C)C2 ZINC001112586549 1001539415 /nfs/dbraw/zinc/53/94/15/1001539415.db2.gz FKUKQWBEIYKWLU-ONTIZHBOSA-N 2 2 370.541 2.869 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086608871 1003168910 /nfs/dbraw/zinc/16/89/10/1003168910.db2.gz FAADQLCPNPZYQF-CMKODMSKSA-N 2 2 364.493 2.990 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086608871 1003168914 /nfs/dbraw/zinc/16/89/14/1003168914.db2.gz FAADQLCPNPZYQF-CMKODMSKSA-N 2 2 364.493 2.990 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001186203495 1003221744 /nfs/dbraw/zinc/22/17/44/1003221744.db2.gz MWLRNHBBXGNRFN-YLJYHZDGSA-N 2 2 370.472 2.889 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001186203495 1003221749 /nfs/dbraw/zinc/22/17/49/1003221749.db2.gz MWLRNHBBXGNRFN-YLJYHZDGSA-N 2 2 370.472 2.889 20 30 FFEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001086619978 1003549256 /nfs/dbraw/zinc/54/92/56/1003549256.db2.gz RGZRQPONVBGENX-RBUKOAKNSA-N 2 2 350.466 2.531 20 30 FFEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001086619978 1003549265 /nfs/dbraw/zinc/54/92/65/1003549265.db2.gz RGZRQPONVBGENX-RBUKOAKNSA-N 2 2 350.466 2.531 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001086619846 1003552246 /nfs/dbraw/zinc/55/22/46/1003552246.db2.gz LHQYTDXFDIZVIR-NZSAHSFTSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001086619846 1003552254 /nfs/dbraw/zinc/55/22/54/1003552254.db2.gz LHQYTDXFDIZVIR-NZSAHSFTSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001086619846 1003552264 /nfs/dbraw/zinc/55/22/64/1003552264.db2.gz LHQYTDXFDIZVIR-NZSAHSFTSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001086619846 1003552269 /nfs/dbraw/zinc/55/22/69/1003552269.db2.gz LHQYTDXFDIZVIR-NZSAHSFTSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1OCC ZINC001489011227 1005394310 /nfs/dbraw/zinc/39/43/10/1005394310.db2.gz RDIUSUFDFHOFTN-VQIMIIECSA-N 2 2 356.470 2.596 20 30 FFEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cccc3c1CN(c1cccc[nH+]1)C3)C2 ZINC000884324619 1007375631 /nfs/dbraw/zinc/37/56/31/1007375631.db2.gz UWYGKEMREUHPKU-JQHMZKTJSA-N 2 2 373.460 2.680 20 30 FFEDLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000819108764 1008037640 /nfs/dbraw/zinc/03/76/40/1008037640.db2.gz NDUFMALZZZYIFK-JOCHJYFZSA-N 2 2 364.493 2.916 20 30 FFEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819184184 1008060288 /nfs/dbraw/zinc/06/02/88/1008060288.db2.gz WOJLKCYDUMWGGG-IIBYNOLFSA-N 2 2 350.466 2.802 20 30 FFEDLP C#C[C@H](CCC)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000820647143 1008362007 /nfs/dbraw/zinc/36/20/07/1008362007.db2.gz OCZQJYSZJPDVRW-YZGWKJHDSA-N 2 2 362.562 2.767 20 30 FFEDLP C#C[C@H](CCC)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000820647143 1008362009 /nfs/dbraw/zinc/36/20/09/1008362009.db2.gz OCZQJYSZJPDVRW-YZGWKJHDSA-N 2 2 362.562 2.767 20 30 FFEDLP CN(C)c1ncc(/C=C2\CCC/C(=C\c3c[nH+]c(N(C)C)n3C)C2=O)n1C ZINC000821021535 1008404548 /nfs/dbraw/zinc/40/45/48/1008404548.db2.gz HHLHMZQOQCGSOX-WFYKWJGLSA-N 2 2 368.485 2.506 20 30 FFEDLP CN(C)c1[nH+]cc(/C=C2\CCC/C(=C\c3c[nH+]c(N(C)C)n3C)C2=O)n1C ZINC000821021535 1008404552 /nfs/dbraw/zinc/40/45/52/1008404552.db2.gz HHLHMZQOQCGSOX-WFYKWJGLSA-N 2 2 368.485 2.506 20 30 FFEDLP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001178721873 1009082621 /nfs/dbraw/zinc/08/26/21/1009082621.db2.gz LJBXEABCGXHLDE-HCXYKTFWSA-N 2 2 356.514 2.699 20 30 FFEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC1(C)OCCO1 ZINC000865673091 1010839141 /nfs/dbraw/zinc/83/91/41/1010839141.db2.gz SBYLEWCMJIDRJG-KRWDZBQOSA-N 2 2 357.498 2.901 20 30 FFEDLP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866283283 1010969723 /nfs/dbraw/zinc/96/97/23/1010969723.db2.gz WYHKNDPBUJEYKH-HNNXBMFYSA-N 2 2 372.513 2.541 20 30 FFEDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(C#N)c1O ZINC000866323458 1010976593 /nfs/dbraw/zinc/97/65/93/1010976593.db2.gz IOAPXTQBJNOEGX-WMLDXEAASA-N 2 2 351.454 2.972 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094516405 1011183012 /nfs/dbraw/zinc/18/30/12/1011183012.db2.gz SZKPHYCAYMGTLY-VGUOSERISA-N 2 2 356.514 2.851 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CCC[C@@H]12 ZINC001094516405 1011183016 /nfs/dbraw/zinc/18/30/16/1011183016.db2.gz SZKPHYCAYMGTLY-VGUOSERISA-N 2 2 356.514 2.851 20 30 FFEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968894 1012137133 /nfs/dbraw/zinc/13/71/33/1012137133.db2.gz ADALBAYIUVVIHM-KSZLIROESA-N 2 2 364.534 2.988 20 30 FFEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001097177230 1017148635 /nfs/dbraw/zinc/14/86/35/1017148635.db2.gz KLYMJICLEUGDIY-OAOYMFHYSA-N 2 2 372.538 2.716 20 30 FFEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001097177230 1017148642 /nfs/dbraw/zinc/14/86/42/1017148642.db2.gz KLYMJICLEUGDIY-OAOYMFHYSA-N 2 2 372.538 2.716 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097177230 1017148645 /nfs/dbraw/zinc/14/86/45/1017148645.db2.gz KLYMJICLEUGDIY-OAOYMFHYSA-N 2 2 372.538 2.716 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097177230 1017148652 /nfs/dbraw/zinc/14/86/52/1017148652.db2.gz KLYMJICLEUGDIY-OAOYMFHYSA-N 2 2 372.538 2.716 20 30 FFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000902279827 1020041673 /nfs/dbraw/zinc/04/16/73/1020041673.db2.gz BASWSRIAXHKEMX-KRWDZBQOSA-N 2 2 374.529 2.670 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001045968449 1020375762 /nfs/dbraw/zinc/37/57/62/1020375762.db2.gz PCZORRNHSBVXOC-DBXWQHBBSA-N 2 2 356.514 2.804 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001045968449 1020375775 /nfs/dbraw/zinc/37/57/75/1020375775.db2.gz PCZORRNHSBVXOC-DBXWQHBBSA-N 2 2 356.514 2.804 20 30 FFEDLP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001045968145 1020376118 /nfs/dbraw/zinc/37/61/18/1020376118.db2.gz KNTZMWBZOHMUBA-OPYAIIAOSA-N 2 2 356.514 2.804 20 30 FFEDLP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001045968145 1020376124 /nfs/dbraw/zinc/37/61/24/1020376124.db2.gz KNTZMWBZOHMUBA-OPYAIIAOSA-N 2 2 356.514 2.804 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCN4CCSC[C@H]34)CC2)cc1 ZINC000903270201 1020771990 /nfs/dbraw/zinc/77/19/90/1020771990.db2.gz BTKXXSVOENJCSV-NHCUHLMSSA-N 2 2 370.566 2.692 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001099029668 1021632468 /nfs/dbraw/zinc/63/24/68/1021632468.db2.gz IABDVLBNSZCDAY-SNRMKQJTSA-N 2 2 371.928 2.922 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001099029668 1021632470 /nfs/dbraw/zinc/63/24/70/1021632470.db2.gz IABDVLBNSZCDAY-SNRMKQJTSA-N 2 2 371.928 2.922 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029668 1021632472 /nfs/dbraw/zinc/63/24/72/1021632472.db2.gz IABDVLBNSZCDAY-SNRMKQJTSA-N 2 2 371.928 2.922 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029668 1021632475 /nfs/dbraw/zinc/63/24/75/1021632475.db2.gz IABDVLBNSZCDAY-SNRMKQJTSA-N 2 2 371.928 2.922 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001122530012 1023321783 /nfs/dbraw/zinc/32/17/83/1023321783.db2.gz VQSBRCWNMHXKIH-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001122530012 1023321786 /nfs/dbraw/zinc/32/17/86/1023321786.db2.gz VQSBRCWNMHXKIH-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001122530012 1023321791 /nfs/dbraw/zinc/32/17/91/1023321791.db2.gz VQSBRCWNMHXKIH-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001122530012 1023321796 /nfs/dbraw/zinc/32/17/96/1023321796.db2.gz VQSBRCWNMHXKIH-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001122622667 1023375926 /nfs/dbraw/zinc/37/59/26/1023375926.db2.gz HPZNDJSGZSHSGN-GOSISDBHSA-N 2 2 358.534 2.543 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001122622667 1023375932 /nfs/dbraw/zinc/37/59/32/1023375932.db2.gz HPZNDJSGZSHSGN-GOSISDBHSA-N 2 2 358.534 2.543 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@]2(C)C1 ZINC001101415584 1024682288 /nfs/dbraw/zinc/68/22/88/1024682288.db2.gz WGELSPZTAHNPRZ-UTKZUKDTSA-N 2 2 365.481 2.627 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@]2(C)C1 ZINC001101415584 1024682293 /nfs/dbraw/zinc/68/22/93/1024682293.db2.gz WGELSPZTAHNPRZ-UTKZUKDTSA-N 2 2 365.481 2.627 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001103010018 1026874114 /nfs/dbraw/zinc/87/41/14/1026874114.db2.gz XITDOPIFNXYZFM-GDBMZVCRSA-N 2 2 364.921 2.589 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001103010018 1026874119 /nfs/dbraw/zinc/87/41/19/1026874119.db2.gz XITDOPIFNXYZFM-GDBMZVCRSA-N 2 2 364.921 2.589 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001111753924 1029343095 /nfs/dbraw/zinc/34/30/95/1029343095.db2.gz CLZOYLUXLZWWML-UWJYYQICSA-N 2 2 356.514 2.699 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001111753924 1029343109 /nfs/dbraw/zinc/34/31/09/1029343109.db2.gz CLZOYLUXLZWWML-UWJYYQICSA-N 2 2 356.514 2.699 20 30 FFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112171683 1030141283 /nfs/dbraw/zinc/14/12/83/1030141283.db2.gz URDOGFVDELMWHU-HUUCEWRRSA-N 2 2 360.424 2.902 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3c(c2)OCCCO3)CC1 ZINC001142274655 1030249375 /nfs/dbraw/zinc/24/93/75/1030249375.db2.gz ZRACMRBRNYNZBL-UHFFFAOYSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112216965 1030261784 /nfs/dbraw/zinc/26/17/84/1030261784.db2.gz BAXBXJMAPYUFNJ-HUUCEWRRSA-N 2 2 358.408 2.608 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205424167 1031735097 /nfs/dbraw/zinc/73/50/97/1031735097.db2.gz AXJAEXMKGVWCDZ-RBUKOAKNSA-N 2 2 356.445 2.573 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001221914327 1035152672 /nfs/dbraw/zinc/15/26/72/1035152672.db2.gz SYTCFHPDXWMDBK-MBOZVWFJSA-N 2 2 365.481 2.768 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001221914327 1035152677 /nfs/dbraw/zinc/15/26/77/1035152677.db2.gz SYTCFHPDXWMDBK-MBOZVWFJSA-N 2 2 365.481 2.768 20 30 FFEDLP COC(=O)c1ccc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1F ZINC000835018932 1035487869 /nfs/dbraw/zinc/48/78/69/1035487869.db2.gz YCTUGLJWYVSBCA-UHFFFAOYSA-N 2 2 370.428 2.810 20 30 FFEDLP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3CC#N)CC2)CC1 ZINC001235513372 1037597988 /nfs/dbraw/zinc/59/79/88/1037597988.db2.gz BSRJIWHBMMOIFP-UHFFFAOYSA-N 2 2 369.509 2.992 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc1C#N ZINC001278463809 1039454522 /nfs/dbraw/zinc/45/45/22/1039454522.db2.gz FRGLGECBGZLWIF-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc1C#N ZINC001278463809 1039454523 /nfs/dbraw/zinc/45/45/23/1039454523.db2.gz FRGLGECBGZLWIF-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1C#N ZINC001278463809 1039454526 /nfs/dbraw/zinc/45/45/26/1039454526.db2.gz FRGLGECBGZLWIF-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1C#N ZINC001278463809 1039454530 /nfs/dbraw/zinc/45/45/30/1039454530.db2.gz FRGLGECBGZLWIF-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001216859181 1042147588 /nfs/dbraw/zinc/14/75/88/1042147588.db2.gz LNCKDFNKIHBVTQ-MISYRCLQSA-N 2 2 358.530 2.867 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001264445676 1042673435 /nfs/dbraw/zinc/67/34/35/1042673435.db2.gz QTVXRGREGONGMV-VQTJNVASSA-N 2 2 352.482 2.893 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001264445676 1042673440 /nfs/dbraw/zinc/67/34/40/1042673440.db2.gz QTVXRGREGONGMV-VQTJNVASSA-N 2 2 352.482 2.893 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001264445676 1042673443 /nfs/dbraw/zinc/67/34/43/1042673443.db2.gz QTVXRGREGONGMV-VQTJNVASSA-N 2 2 352.482 2.893 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001264445676 1042673445 /nfs/dbraw/zinc/67/34/45/1042673445.db2.gz QTVXRGREGONGMV-VQTJNVASSA-N 2 2 352.482 2.893 20 30 FFEDLP COC(C)(C)CC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001279267432 1042974905 /nfs/dbraw/zinc/97/49/05/1042974905.db2.gz QXEIDSUMCCIEHS-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)CC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001279267432 1042974910 /nfs/dbraw/zinc/97/49/10/1042974910.db2.gz QXEIDSUMCCIEHS-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001279267432 1042974917 /nfs/dbraw/zinc/97/49/17/1042974917.db2.gz QXEIDSUMCCIEHS-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001279267432 1042974925 /nfs/dbraw/zinc/97/49/25/1042974925.db2.gz QXEIDSUMCCIEHS-OAQYLSRUSA-N 2 2 358.530 3.000 20 30 FFEDLP C=CCc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c1O ZINC001279603873 1043324958 /nfs/dbraw/zinc/32/49/58/1043324958.db2.gz AZRPHGONGGLQOZ-PMACEKPBSA-N 2 2 352.482 2.666 20 30 FFEDLP C=CCc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c1O ZINC001279603873 1043324965 /nfs/dbraw/zinc/32/49/65/1043324965.db2.gz AZRPHGONGGLQOZ-PMACEKPBSA-N 2 2 352.482 2.666 20 30 FFEDLP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CCN(c4nccnc4C#N)CC3)cc21 ZINC001237886748 1043417823 /nfs/dbraw/zinc/41/78/23/1043417823.db2.gz RGGQOWRBWYKNCF-UHFFFAOYSA-N 2 2 374.492 2.672 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnc(OC(C)C)c(C)c2)CC1 ZINC001238378085 1043677341 /nfs/dbraw/zinc/67/73/41/1043677341.db2.gz MJZJJJXZCSURLY-UHFFFAOYSA-N 2 2 372.557 2.969 20 30 FFEDLP N#Cc1cc(-c2cc[nH+]c(N3CCOCC3)c2)ccc1OC1CC[NH2+]CC1 ZINC001243903531 1045044537 /nfs/dbraw/zinc/04/45/37/1045044537.db2.gz OEAFNXRKGANAGB-UHFFFAOYSA-N 2 2 364.449 2.588 20 30 FFEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)[nH+]1 ZINC001319489930 1045171260 /nfs/dbraw/zinc/17/12/60/1045171260.db2.gz MREDOOBXYZHOOG-RBUKOAKNSA-N 2 2 366.465 2.578 20 30 FFEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)[nH+]1 ZINC001319489930 1045171267 /nfs/dbraw/zinc/17/12/67/1045171267.db2.gz MREDOOBXYZHOOG-RBUKOAKNSA-N 2 2 366.465 2.578 20 30 FFEDLP CCCCCCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001340060565 1050468173 /nfs/dbraw/zinc/46/81/73/1050468173.db2.gz CUNWASRNTICOIW-HXUWFJFHSA-N 3 2 366.594 2.739 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001343772498 1052411597 /nfs/dbraw/zinc/41/15/97/1052411597.db2.gz TYLWNGZYSJNFGR-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001343772498 1052411600 /nfs/dbraw/zinc/41/16/00/1052411600.db2.gz TYLWNGZYSJNFGR-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)[nH+]1 ZINC001335060781 1053201873 /nfs/dbraw/zinc/20/18/73/1053201873.db2.gz LABHYTHYVGITJD-GOSISDBHSA-N 2 2 369.513 2.951 20 30 FFEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)[nH+]1 ZINC001335060781 1053201877 /nfs/dbraw/zinc/20/18/77/1053201877.db2.gz LABHYTHYVGITJD-GOSISDBHSA-N 2 2 369.513 2.951 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001355968322 1060771059 /nfs/dbraw/zinc/77/10/59/1060771059.db2.gz SMKDCSBVPVWGQI-GOSISDBHSA-N 2 2 372.561 2.761 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001355968322 1060771070 /nfs/dbraw/zinc/77/10/70/1060771070.db2.gz SMKDCSBVPVWGQI-GOSISDBHSA-N 2 2 372.561 2.761 20 30 FFEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1C#N ZINC000366899896 512240179 /nfs/dbraw/zinc/24/01/79/512240179.db2.gz IWAZMOSMSUCPCI-JXFKEZNVSA-N 2 2 350.466 2.962 20 30 FFEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1C#N ZINC000366899896 512240181 /nfs/dbraw/zinc/24/01/81/512240181.db2.gz IWAZMOSMSUCPCI-JXFKEZNVSA-N 2 2 350.466 2.962 20 30 FFEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000410412711 512256019 /nfs/dbraw/zinc/25/60/19/512256019.db2.gz DWPBATQTZVCRTK-HBMCJLEFSA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC000410412711 512256022 /nfs/dbraw/zinc/25/60/22/512256022.db2.gz DWPBATQTZVCRTK-HBMCJLEFSA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1=O ZINC000410412711 512256025 /nfs/dbraw/zinc/25/60/25/512256025.db2.gz DWPBATQTZVCRTK-HBMCJLEFSA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000410412711 512256017 /nfs/dbraw/zinc/25/60/17/512256017.db2.gz DWPBATQTZVCRTK-HBMCJLEFSA-N 2 2 353.510 2.760 20 30 FFEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000072860451 507865978 /nfs/dbraw/zinc/86/59/78/507865978.db2.gz FMZHSJKXYUJGMA-DLBZAZTESA-N 2 2 360.477 2.734 20 30 FFEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000072860451 507865980 /nfs/dbraw/zinc/86/59/80/507865980.db2.gz FMZHSJKXYUJGMA-DLBZAZTESA-N 2 2 360.477 2.734 20 30 FFEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000072860451 507865981 /nfs/dbraw/zinc/86/59/81/507865981.db2.gz FMZHSJKXYUJGMA-DLBZAZTESA-N 2 2 360.477 2.734 20 30 FFEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000072860451 507865983 /nfs/dbraw/zinc/86/59/83/507865983.db2.gz FMZHSJKXYUJGMA-DLBZAZTESA-N 2 2 360.477 2.734 20 30 FFEDLP C[N@H+](CCOc1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968926 508120016 /nfs/dbraw/zinc/12/00/16/508120016.db2.gz PQEGBCDAQYAOGK-UHFFFAOYSA-N 2 2 364.493 2.971 20 30 FFEDLP C[N@@H+](CCOc1ccc(C#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968926 508120018 /nfs/dbraw/zinc/12/00/18/508120018.db2.gz PQEGBCDAQYAOGK-UHFFFAOYSA-N 2 2 364.493 2.971 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C(C)C ZINC000076073552 508155731 /nfs/dbraw/zinc/15/57/31/508155731.db2.gz XNHKZVDBWOEIHQ-MSOLQXFVSA-N 2 2 359.518 2.997 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000106340882 508399616 /nfs/dbraw/zinc/39/96/16/508399616.db2.gz MJRJTJQBTUEUNP-UHFFFAOYSA-N 2 2 367.497 2.986 20 30 FFEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156487280 508428339 /nfs/dbraw/zinc/42/83/39/508428339.db2.gz QXBLQGHRBSVULG-DYVFJYSZSA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156487280 508428343 /nfs/dbraw/zinc/42/83/43/508428343.db2.gz QXBLQGHRBSVULG-DYVFJYSZSA-N 2 2 357.845 2.930 20 30 FFEDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000131549121 508948805 /nfs/dbraw/zinc/94/88/05/508948805.db2.gz PGOYWGBZVCYIRT-OAQYLSRUSA-N 2 2 353.466 2.539 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247963732 509202462 /nfs/dbraw/zinc/20/24/62/509202462.db2.gz GMUZUMHQYKCUHV-FPOVZHCZSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247963732 509202474 /nfs/dbraw/zinc/20/24/74/509202474.db2.gz GMUZUMHQYKCUHV-FPOVZHCZSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247963732 509202485 /nfs/dbraw/zinc/20/24/85/509202485.db2.gz GMUZUMHQYKCUHV-FPOVZHCZSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247963732 509202490 /nfs/dbraw/zinc/20/24/90/509202490.db2.gz GMUZUMHQYKCUHV-FPOVZHCZSA-N 2 2 368.525 2.966 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266890261 509242671 /nfs/dbraw/zinc/24/26/71/509242671.db2.gz CUWBLENUAWMBQP-AWEZNQCLSA-N 2 2 355.467 2.843 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266890261 509242679 /nfs/dbraw/zinc/24/26/79/509242679.db2.gz CUWBLENUAWMBQP-AWEZNQCLSA-N 2 2 355.467 2.843 20 30 FFEDLP CCC[NH+]1CCC([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000192611779 509566843 /nfs/dbraw/zinc/56/68/43/509566843.db2.gz VEIUEIKXZVBYOJ-FQEVSTJZSA-N 2 2 354.498 2.860 20 30 FFEDLP CCC[NH+]1CCC([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000192611779 509566849 /nfs/dbraw/zinc/56/68/49/509566849.db2.gz VEIUEIKXZVBYOJ-FQEVSTJZSA-N 2 2 354.498 2.860 20 30 FFEDLP C=CCC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000180781964 510104804 /nfs/dbraw/zinc/10/48/04/510104804.db2.gz FBXQQEXHAFEIBG-OALUTQOASA-N 2 2 371.529 2.616 20 30 FFEDLP CC[NH+]=C(NCCc1c(C)noc1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261985141 510138169 /nfs/dbraw/zinc/13/81/69/510138169.db2.gz PWFYSOSFOUFKQL-KDOFPFPSSA-N 2 2 358.490 2.579 20 30 FFEDLP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261988732 510140059 /nfs/dbraw/zinc/14/00/59/510140059.db2.gz QTBVNQJXXABIQX-LSDHHAIUSA-N 2 2 358.490 2.827 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000171552172 510221262 /nfs/dbraw/zinc/22/12/62/510221262.db2.gz OWHFXKGTFHNRKG-UHFFFAOYSA-N 2 2 355.486 2.684 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181099496 510276139 /nfs/dbraw/zinc/27/61/39/510276139.db2.gz VZBSRBOYSYYSDU-GOSISDBHSA-N 2 2 353.470 2.849 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181099496 510276144 /nfs/dbraw/zinc/27/61/44/510276144.db2.gz VZBSRBOYSYYSDU-GOSISDBHSA-N 2 2 353.470 2.849 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000177909868 510321545 /nfs/dbraw/zinc/32/15/45/510321545.db2.gz JQKQQKOFHWPNKD-OAHLLOKOSA-N 2 2 351.516 2.749 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246156118 510325511 /nfs/dbraw/zinc/32/55/11/510325511.db2.gz GXCYXWUQWSRXRP-ROUUACIJSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246156118 510325523 /nfs/dbraw/zinc/32/55/23/510325523.db2.gz GXCYXWUQWSRXRP-ROUUACIJSA-N 2 2 372.488 2.879 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000174908453 510379538 /nfs/dbraw/zinc/37/95/38/510379538.db2.gz JLJSDMNQLVNIGS-UHFFFAOYSA-N 2 2 371.529 2.977 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000174908453 510379544 /nfs/dbraw/zinc/37/95/44/510379544.db2.gz JLJSDMNQLVNIGS-UHFFFAOYSA-N 2 2 371.529 2.977 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000263238820 510626078 /nfs/dbraw/zinc/62/60/78/510626078.db2.gz KKTLLCUERKBSAH-BETUJISGSA-N 2 2 368.909 2.963 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000263238820 510626083 /nfs/dbraw/zinc/62/60/83/510626083.db2.gz KKTLLCUERKBSAH-BETUJISGSA-N 2 2 368.909 2.963 20 30 FFEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@H](C[NH+]3CCCC3)C1)C2 ZINC000329943566 510883146 /nfs/dbraw/zinc/88/31/46/510883146.db2.gz HURCASBPKJWNDS-SJORKVTESA-N 2 2 373.545 2.827 20 30 FFEDLP C=CCC[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccco1 ZINC000276487439 510940136 /nfs/dbraw/zinc/94/01/36/510940136.db2.gz TZEMMOJUKUWFHU-SFHVURJKSA-N 2 2 355.486 2.879 20 30 FFEDLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271961712 511384821 /nfs/dbraw/zinc/38/48/21/511384821.db2.gz RNYHPFHZVBDNOP-OAHLLOKOSA-N 2 2 353.445 2.695 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000296498994 511767635 /nfs/dbraw/zinc/76/76/35/511767635.db2.gz RXIVERFTYWKSCB-UHFFFAOYSA-N 2 2 373.888 2.975 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329723218 512090193 /nfs/dbraw/zinc/09/01/93/512090193.db2.gz NPPFUHFIGNSUQE-SJLPKXTDSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329723218 512090199 /nfs/dbraw/zinc/09/01/99/512090199.db2.gz NPPFUHFIGNSUQE-SJLPKXTDSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329723218 512090200 /nfs/dbraw/zinc/09/02/00/512090200.db2.gz NPPFUHFIGNSUQE-SJLPKXTDSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329723218 512090205 /nfs/dbraw/zinc/09/02/05/512090205.db2.gz NPPFUHFIGNSUQE-SJLPKXTDSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H]1[NH+](C)C ZINC000329769070 512095160 /nfs/dbraw/zinc/09/51/60/512095160.db2.gz HITXYSSKZRTKJZ-UKRRQHHQSA-N 2 2 351.520 2.556 20 30 FFEDLP C=CCCCCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367776250 512657932 /nfs/dbraw/zinc/65/79/32/512657932.db2.gz LWRJKRXYHICVKW-UHFFFAOYSA-N 2 2 350.551 2.981 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000428667967 513158689 /nfs/dbraw/zinc/15/86/89/513158689.db2.gz XTMIHSXHOUFTOJ-INIZCTEOSA-N 2 2 351.454 2.575 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000428667967 513158695 /nfs/dbraw/zinc/15/86/95/513158695.db2.gz XTMIHSXHOUFTOJ-INIZCTEOSA-N 2 2 351.454 2.575 20 30 FFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000441254661 513521667 /nfs/dbraw/zinc/52/16/67/513521667.db2.gz FUZJADWZAMXFCT-SOLBZPMBSA-N 2 2 365.424 2.843 20 30 FFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000441254661 513521677 /nfs/dbraw/zinc/52/16/77/513521677.db2.gz FUZJADWZAMXFCT-SOLBZPMBSA-N 2 2 365.424 2.843 20 30 FFEDLP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430566203 513690713 /nfs/dbraw/zinc/69/07/13/513690713.db2.gz BYKJPVCDMBKFGH-UHFFFAOYSA-N 2 2 363.527 2.733 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448922484 513971238 /nfs/dbraw/zinc/97/12/38/513971238.db2.gz QVGFOQYGCRIWMY-UHFFFAOYSA-N 2 2 369.425 2.551 20 30 FFEDLP Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)ccc1C#N ZINC000443967738 514086650 /nfs/dbraw/zinc/08/66/50/514086650.db2.gz PICUAPFVYYSSQM-UHFFFAOYSA-N 2 2 365.477 2.868 20 30 FFEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OC ZINC000414798528 514299974 /nfs/dbraw/zinc/29/99/74/514299974.db2.gz JKUNXCWPYKYNJL-AWEZNQCLSA-N 2 2 355.276 2.849 20 30 FFEDLP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000462187296 514928970 /nfs/dbraw/zinc/92/89/70/514928970.db2.gz IZNXHPQISVKAHI-SFHVURJKSA-N 2 2 368.525 2.728 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481199148 515244257 /nfs/dbraw/zinc/24/42/57/515244257.db2.gz OTTHUBHXEIDREB-RUOSDFBUSA-N 2 2 370.541 2.930 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481199148 515244261 /nfs/dbraw/zinc/24/42/61/515244261.db2.gz OTTHUBHXEIDREB-RUOSDFBUSA-N 2 2 370.541 2.930 20 30 FFEDLP Cc1cc[nH+]c(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491195342 515394749 /nfs/dbraw/zinc/39/47/49/515394749.db2.gz UZURBKJUQVFZQJ-UHFFFAOYSA-N 2 2 372.476 2.984 20 30 FFEDLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000533073071 517278807 /nfs/dbraw/zinc/27/88/07/517278807.db2.gz UUJFOQHLRSWZRZ-UHFFFAOYSA-N 2 2 364.493 2.821 20 30 FFEDLP C[C@@H]1C[NH+](CCOC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000552678362 517344997 /nfs/dbraw/zinc/34/49/97/517344997.db2.gz DHEUQVHSZHMMMY-RTBURBONSA-N 2 2 374.500 2.767 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000527377197 517667121 /nfs/dbraw/zinc/66/71/21/517667121.db2.gz KLYVJRZXHGPGNR-MJGOQNOKSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000527377197 517667130 /nfs/dbraw/zinc/66/71/30/517667130.db2.gz KLYVJRZXHGPGNR-MJGOQNOKSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1Cc1ccccc1 ZINC000527377197 517667139 /nfs/dbraw/zinc/66/71/39/517667139.db2.gz KLYVJRZXHGPGNR-MJGOQNOKSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1Cc1ccccc1 ZINC000527377197 517667145 /nfs/dbraw/zinc/66/71/45/517667145.db2.gz KLYVJRZXHGPGNR-MJGOQNOKSA-N 2 2 354.498 2.534 20 30 FFEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](C4CCC4)CC3)C2=O)cc1 ZINC000557260186 517940471 /nfs/dbraw/zinc/94/04/71/517940471.db2.gz YFTFDZRVQMJPNC-HXUWFJFHSA-N 2 2 352.482 2.660 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Nc2ccc(C#N)c(F)c2)([NH+]2CCCCC2)CC1 ZINC000517204884 518060160 /nfs/dbraw/zinc/06/01/60/518060160.db2.gz HHBVVCGJSLFHJG-UHFFFAOYSA-N 2 2 373.476 2.769 20 30 FFEDLP C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000567710822 518669229 /nfs/dbraw/zinc/66/92/29/518669229.db2.gz SUKIZWBSRDZSSW-RBDMOPTHSA-N 2 2 367.493 2.773 20 30 FFEDLP Cc1ccc([C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)[NH+](C)C)cc1 ZINC000582355336 518713362 /nfs/dbraw/zinc/71/33/62/518713362.db2.gz HFZXLVZXYBOQRZ-IRLDBZIGSA-N 2 2 367.493 2.693 20 30 FFEDLP COc1cccc(CN(CC[NH+](C)C)Cc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000589198176 518947659 /nfs/dbraw/zinc/94/76/59/518947659.db2.gz OGSJHXPNVPMASV-UHFFFAOYSA-N 2 2 363.465 2.778 20 30 FFEDLP N#CCCn1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(-c2ccncc2)n1 ZINC000565577207 519024745 /nfs/dbraw/zinc/02/47/45/519024745.db2.gz XPBRIIGLWAMSMO-UHFFFAOYSA-N 2 2 361.453 2.961 20 30 FFEDLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000568811501 519224228 /nfs/dbraw/zinc/22/42/28/519224228.db2.gz DPQIJXZRMMGXBL-GOSISDBHSA-N 2 2 371.529 2.506 20 30 FFEDLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000568811501 519224235 /nfs/dbraw/zinc/22/42/35/519224235.db2.gz DPQIJXZRMMGXBL-GOSISDBHSA-N 2 2 371.529 2.506 20 30 FFEDLP COc1cc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)ccc1C#N ZINC000578058305 519395796 /nfs/dbraw/zinc/39/57/96/519395796.db2.gz WFCIFRHHGQDYMI-UHFFFAOYSA-N 2 2 357.377 2.703 20 30 FFEDLP CC[NH+](CC)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000600717954 520419284 /nfs/dbraw/zinc/41/92/84/520419284.db2.gz ORHLZWRUDKPKFK-WOJBJXKFSA-N 2 2 359.514 2.730 20 30 FFEDLP C[C@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000600736395 520435796 /nfs/dbraw/zinc/43/57/96/520435796.db2.gz YIGPVWZEITVEFA-LEWJYISDSA-N 2 2 371.525 2.702 20 30 FFEDLP C[C@]1(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000600736395 520435799 /nfs/dbraw/zinc/43/57/99/520435799.db2.gz YIGPVWZEITVEFA-LEWJYISDSA-N 2 2 371.525 2.702 20 30 FFEDLP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000610604058 520762703 /nfs/dbraw/zinc/76/27/03/520762703.db2.gz NSAQACJYROZBOT-LEWJYISDSA-N 2 2 366.509 2.501 20 30 FFEDLP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000610604058 520762710 /nfs/dbraw/zinc/76/27/10/520762710.db2.gz NSAQACJYROZBOT-LEWJYISDSA-N 2 2 366.509 2.501 20 30 FFEDLP COC(=O)c1coc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593701026 521165172 /nfs/dbraw/zinc/16/51/72/521165172.db2.gz AYLBGPLOEQAQBC-UHFFFAOYSA-N 2 2 353.422 2.692 20 30 FFEDLP C=CCOc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000607366638 521341738 /nfs/dbraw/zinc/34/17/38/521341738.db2.gz QITRETSCLDVHER-QFIPXVFZSA-N 2 2 352.478 2.978 20 30 FFEDLP C=CCOc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000607366638 521341744 /nfs/dbraw/zinc/34/17/44/521341744.db2.gz QITRETSCLDVHER-QFIPXVFZSA-N 2 2 352.478 2.978 20 30 FFEDLP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000597247684 521594958 /nfs/dbraw/zinc/59/49/58/521594958.db2.gz RVCPPHIDODQODR-YXYSEUPNSA-N 2 2 367.493 2.700 20 30 FFEDLP C=CCC(F)(F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000815872274 741967585 /nfs/dbraw/zinc/96/75/85/741967585.db2.gz GUDCUVXAPFJNAM-IAGOWNOFSA-N 2 2 357.489 2.993 20 30 FFEDLP C=CCC(F)(F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000815872274 741967586 /nfs/dbraw/zinc/96/75/86/741967586.db2.gz GUDCUVXAPFJNAM-IAGOWNOFSA-N 2 2 357.489 2.993 20 30 FFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008605099 742388058 /nfs/dbraw/zinc/38/80/58/742388058.db2.gz RQALLSNHEVUBHZ-QRVBRYPASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008605099 742388065 /nfs/dbraw/zinc/38/80/65/742388065.db2.gz RQALLSNHEVUBHZ-QRVBRYPASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008605099 742388070 /nfs/dbraw/zinc/38/80/70/742388070.db2.gz RQALLSNHEVUBHZ-QRVBRYPASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008605099 742388078 /nfs/dbraw/zinc/38/80/78/742388078.db2.gz RQALLSNHEVUBHZ-QRVBRYPASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Br)CNC(=[NH+]CC)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160048062 845688363 /nfs/dbraw/zinc/68/83/63/845688363.db2.gz BHAHUOFBRFOFLP-JSGCOSHPSA-N 2 2 354.296 2.640 20 30 FFEDLP C=C(Br)CNC(=[NH+]CC)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160047811 845688702 /nfs/dbraw/zinc/68/87/02/845688702.db2.gz BHAHUOFBRFOFLP-GXTWGEPZSA-N 2 2 354.296 2.640 20 30 FFEDLP C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000660573058 972257547 /nfs/dbraw/zinc/25/75/47/972257547.db2.gz GAQVMKGWSQRKHH-FXAWDEMLSA-N 2 2 362.562 2.979 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001104367325 964293924 /nfs/dbraw/zinc/29/39/24/964293924.db2.gz PHRHYRDYIBTKOI-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001104367325 964293929 /nfs/dbraw/zinc/29/39/29/964293929.db2.gz PHRHYRDYIBTKOI-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP C[NH+]=C(NC[C@H](c1cccs1)N(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261940423 964768832 /nfs/dbraw/zinc/76/88/32/964768832.db2.gz DKJOLLSFADDDJS-BBWFWOEESA-N 2 2 374.558 2.706 20 30 FFEDLP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261968964 965101199 /nfs/dbraw/zinc/10/11/99/965101199.db2.gz MFYKSVNDEOGFEP-TXTZMMAHSA-N 2 2 359.518 2.545 20 30 FFEDLP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262011460 965310018 /nfs/dbraw/zinc/31/00/18/965310018.db2.gz WRYNMYVQGHOJSD-DMUMMCEESA-N 2 2 361.534 2.673 20 30 FFEDLP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482386698 967444739 /nfs/dbraw/zinc/44/47/39/967444739.db2.gz ILNOHFMFVKPWSY-KBRIMQKVSA-N 2 2 371.510 2.767 20 30 FFEDLP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482386698 967444746 /nfs/dbraw/zinc/44/47/46/967444746.db2.gz ILNOHFMFVKPWSY-KBRIMQKVSA-N 2 2 371.510 2.767 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1 ZINC001211586440 967564050 /nfs/dbraw/zinc/56/40/50/967564050.db2.gz OHNDIJYLOJMSMU-RBUKOAKNSA-N 2 2 352.482 2.893 20 30 FFEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000329846791 968159912 /nfs/dbraw/zinc/15/99/12/968159912.db2.gz QVLFCTVRZFCALV-KRWDZBQOSA-N 2 2 368.481 2.986 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H]1CC ZINC001087580695 968226580 /nfs/dbraw/zinc/22/65/80/968226580.db2.gz SRKRYXFHCMFJAK-IPELMVKDSA-N 2 2 359.518 2.725 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H]1CC ZINC001087580695 968226598 /nfs/dbraw/zinc/22/65/98/968226598.db2.gz SRKRYXFHCMFJAK-IPELMVKDSA-N 2 2 359.518 2.725 20 30 FFEDLP C=C(C)CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H]1CC ZINC001087580695 968226612 /nfs/dbraw/zinc/22/66/12/968226612.db2.gz SRKRYXFHCMFJAK-IPELMVKDSA-N 2 2 359.518 2.725 20 30 FFEDLP C=C(C)CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H]1CC ZINC001087580695 968226620 /nfs/dbraw/zinc/22/66/20/968226620.db2.gz SRKRYXFHCMFJAK-IPELMVKDSA-N 2 2 359.518 2.725 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001111935964 969232539 /nfs/dbraw/zinc/23/25/39/969232539.db2.gz ZLRGDSIIEQDTBD-UWJYYQICSA-N 2 2 365.481 2.818 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001111935964 969232547 /nfs/dbraw/zinc/23/25/47/969232547.db2.gz ZLRGDSIIEQDTBD-UWJYYQICSA-N 2 2 365.481 2.818 20 30 FFEDLP C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665717559 974015989 /nfs/dbraw/zinc/01/59/89/974015989.db2.gz GQZUPCFVJPAXMA-UXHICEINSA-N 2 2 370.541 2.642 20 30 FFEDLP C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665717559 974016001 /nfs/dbraw/zinc/01/60/01/974016001.db2.gz GQZUPCFVJPAXMA-UXHICEINSA-N 2 2 370.541 2.642 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001087438734 977376093 /nfs/dbraw/zinc/37/60/93/977376093.db2.gz NBISIEZAWHZXKL-VSKRKVRLSA-N 2 2 367.537 2.857 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001087438734 977376098 /nfs/dbraw/zinc/37/60/98/977376098.db2.gz NBISIEZAWHZXKL-VSKRKVRLSA-N 2 2 367.537 2.857 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001087438734 977376105 /nfs/dbraw/zinc/37/61/05/977376105.db2.gz NBISIEZAWHZXKL-VSKRKVRLSA-N 2 2 367.537 2.857 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001087459845 977995036 /nfs/dbraw/zinc/99/50/36/977995036.db2.gz AVTJQJHBSMNREC-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001087459845 977995040 /nfs/dbraw/zinc/99/50/40/977995040.db2.gz AVTJQJHBSMNREC-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001087459845 977995049 /nfs/dbraw/zinc/99/50/49/977995049.db2.gz AVTJQJHBSMNREC-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001087459845 977995056 /nfs/dbraw/zinc/99/50/56/977995056.db2.gz AVTJQJHBSMNREC-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1C#N ZINC000174403694 986205783 /nfs/dbraw/zinc/20/57/83/986205783.db2.gz BPUWZOWPWOYPMH-UZLBHIALSA-N 2 2 350.466 2.962 20 30 FFEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1C#N ZINC000174403694 986205797 /nfs/dbraw/zinc/20/57/97/986205797.db2.gz BPUWZOWPWOYPMH-UZLBHIALSA-N 2 2 350.466 2.962 20 30 FFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106869975 989772442 /nfs/dbraw/zinc/77/24/42/989772442.db2.gz VIEPVLSQXKCDRI-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1C ZINC001079879409 992523931 /nfs/dbraw/zinc/52/39/31/992523931.db2.gz QLLIFHYILJMQHB-NRSPTQNISA-N 2 2 359.558 2.881 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1C ZINC001079879409 992523937 /nfs/dbraw/zinc/52/39/37/992523937.db2.gz QLLIFHYILJMQHB-NRSPTQNISA-N 2 2 359.558 2.881 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1C ZINC001079879409 992523948 /nfs/dbraw/zinc/52/39/48/992523948.db2.gz QLLIFHYILJMQHB-NRSPTQNISA-N 2 2 359.558 2.881 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCCCC2)C[C@H]1C ZINC001079879409 992523958 /nfs/dbraw/zinc/52/39/58/992523958.db2.gz QLLIFHYILJMQHB-NRSPTQNISA-N 2 2 359.558 2.881 20 30 FFEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211480 1000199194 /nfs/dbraw/zinc/19/91/94/1000199194.db2.gz DPJJSRBSPIXIOR-DENIHFKCSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211480 1000199196 /nfs/dbraw/zinc/19/91/96/1000199196.db2.gz DPJJSRBSPIXIOR-DENIHFKCSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211480 1000199197 /nfs/dbraw/zinc/19/91/97/1000199197.db2.gz DPJJSRBSPIXIOR-DENIHFKCSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211480 1000199199 /nfs/dbraw/zinc/19/91/99/1000199199.db2.gz DPJJSRBSPIXIOR-DENIHFKCSA-N 2 2 371.525 2.550 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000846837384 1000455389 /nfs/dbraw/zinc/45/53/89/1000455389.db2.gz ZCCVFYPFCYRRCR-ZWKOTPCHSA-N 2 2 365.481 2.853 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000846837384 1000455393 /nfs/dbraw/zinc/45/53/93/1000455393.db2.gz ZCCVFYPFCYRRCR-ZWKOTPCHSA-N 2 2 365.481 2.853 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001109446735 1000481360 /nfs/dbraw/zinc/48/13/60/1000481360.db2.gz XBJJEJUACDWNNN-WCIQWLHISA-N 2 2 373.928 2.753 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001109446735 1000481365 /nfs/dbraw/zinc/48/13/65/1000481365.db2.gz XBJJEJUACDWNNN-WCIQWLHISA-N 2 2 373.928 2.753 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922699 1001154801 /nfs/dbraw/zinc/15/48/01/1001154801.db2.gz KQPLKPTYDWUCOX-LBKNJMOBSA-N 2 2 365.481 2.957 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001109922699 1001154805 /nfs/dbraw/zinc/15/48/05/1001154805.db2.gz KQPLKPTYDWUCOX-LBKNJMOBSA-N 2 2 365.481 2.957 20 30 FFEDLP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C#N)ccc1F ZINC001110014838 1001306086 /nfs/dbraw/zinc/30/60/86/1001306086.db2.gz LATHYSXIDXRBHL-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C#N)ccc1F ZINC001110014838 1001306091 /nfs/dbraw/zinc/30/60/91/1001306091.db2.gz LATHYSXIDXRBHL-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110014838 1001306097 /nfs/dbraw/zinc/30/60/97/1001306097.db2.gz LATHYSXIDXRBHL-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110014838 1001306101 /nfs/dbraw/zinc/30/61/01/1001306101.db2.gz LATHYSXIDXRBHL-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(-n3cc[nH+]c3)c1)C2 ZINC001112556452 1001465847 /nfs/dbraw/zinc/46/58/47/1001465847.db2.gz UOUCOXJLHXONDA-UGKGYDQZSA-N 2 2 362.477 2.728 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086595893 1002604935 /nfs/dbraw/zinc/60/49/35/1002604935.db2.gz ZSRGLOXBGVWMQR-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086595893 1002604941 /nfs/dbraw/zinc/60/49/41/1002604941.db2.gz ZSRGLOXBGVWMQR-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001186190188 1003213940 /nfs/dbraw/zinc/21/39/40/1003213940.db2.gz XBMUUPOGXMZJFQ-IEBWSBKVSA-N 2 2 370.472 2.889 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001186190188 1003213951 /nfs/dbraw/zinc/21/39/51/1003213951.db2.gz XBMUUPOGXMZJFQ-IEBWSBKVSA-N 2 2 370.472 2.889 20 30 FFEDLP C#C[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568993 1004999293 /nfs/dbraw/zinc/99/92/93/1004999293.db2.gz UITWUPOLOCQXIR-FXAWDEMLSA-N 2 2 373.928 2.938 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001110693783 1007034357 /nfs/dbraw/zinc/03/43/57/1007034357.db2.gz UHRVOAFABJTFBF-LMCOJAPRSA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001110693783 1007034371 /nfs/dbraw/zinc/03/43/71/1007034371.db2.gz UHRVOAFABJTFBF-LMCOJAPRSA-N 2 2 372.488 2.505 20 30 FFEDLP C#CCC1(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CCCCC1 ZINC000817656742 1007688424 /nfs/dbraw/zinc/68/84/24/1007688424.db2.gz NOZANJRBVFULMQ-UHFFFAOYSA-N 2 2 359.558 2.979 20 30 FFEDLP C#CCC1(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CCCCC1 ZINC000817656742 1007688430 /nfs/dbraw/zinc/68/84/30/1007688430.db2.gz NOZANJRBVFULMQ-UHFFFAOYSA-N 2 2 359.558 2.979 20 30 FFEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001095405922 1010454181 /nfs/dbraw/zinc/45/41/81/1010454181.db2.gz FKZBMFLAWMEAPE-ANULTFPQSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001095405922 1010454188 /nfs/dbraw/zinc/45/41/88/1010454188.db2.gz FKZBMFLAWMEAPE-ANULTFPQSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001095405922 1010454198 /nfs/dbraw/zinc/45/41/98/1010454198.db2.gz FKZBMFLAWMEAPE-ANULTFPQSA-N 2 2 366.509 2.653 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@H]1C#N ZINC001172979341 1012148741 /nfs/dbraw/zinc/14/87/41/1012148741.db2.gz RBXFPPCEVJTNPD-CVEARBPZSA-N 2 2 355.442 2.716 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173481161 1012608508 /nfs/dbraw/zinc/60/85/08/1012608508.db2.gz HAGWEYBZFZYYKT-UHFFFAOYSA-N 2 2 361.480 2.724 20 30 FFEDLP CC1(C#N)CCC([NH+]2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)CC1 ZINC001173598651 1012769212 /nfs/dbraw/zinc/76/92/12/1012769212.db2.gz SJKJKXGIQIEAHZ-UHFFFAOYSA-N 2 2 354.502 2.671 20 30 FFEDLP C[NH+]1CCC(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)([NH+]2CCCCC2)CC1 ZINC000304794957 1012873406 /nfs/dbraw/zinc/87/34/06/1012873406.db2.gz METAORAWLTXLGK-UHFFFAOYSA-N 3 2 369.557 2.852 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)cc1 ZINC001097444790 1017469044 /nfs/dbraw/zinc/46/90/44/1017469044.db2.gz HUGFDXXWYFFJOR-NRSPTQNISA-N 2 2 371.444 2.741 20 30 FFEDLP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccn4c[nH+]cc4c2)C3)cc1 ZINC001097444790 1017469053 /nfs/dbraw/zinc/46/90/53/1017469053.db2.gz HUGFDXXWYFFJOR-NRSPTQNISA-N 2 2 371.444 2.741 20 30 FFEDLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)C1 ZINC001097860270 1018040645 /nfs/dbraw/zinc/04/06/45/1018040645.db2.gz HYNZKLKVWKTREV-OLMNPRSZSA-N 2 2 372.538 2.573 20 30 FFEDLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3Cc2ccc(C#N)s2)C1 ZINC001097860270 1018040658 /nfs/dbraw/zinc/04/06/58/1018040658.db2.gz HYNZKLKVWKTREV-OLMNPRSZSA-N 2 2 372.538 2.573 20 30 FFEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)C1 ZINC001097860270 1018040669 /nfs/dbraw/zinc/04/06/69/1018040669.db2.gz HYNZKLKVWKTREV-OLMNPRSZSA-N 2 2 372.538 2.573 20 30 FFEDLP CC1(C)CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)C1 ZINC001097860270 1018040685 /nfs/dbraw/zinc/04/06/85/1018040685.db2.gz HYNZKLKVWKTREV-OLMNPRSZSA-N 2 2 372.538 2.573 20 30 FFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001096277042 1019805803 /nfs/dbraw/zinc/80/58/03/1019805803.db2.gz PAIIVJVKFBUJNV-AOIWGVFYSA-N 2 2 351.454 2.569 20 30 FFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001096277042 1019805818 /nfs/dbraw/zinc/80/58/18/1019805818.db2.gz PAIIVJVKFBUJNV-AOIWGVFYSA-N 2 2 351.454 2.569 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001045968144 1020375865 /nfs/dbraw/zinc/37/58/65/1020375865.db2.gz KNTZMWBZOHMUBA-DBXWQHBBSA-N 2 2 356.514 2.804 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001045968144 1020375873 /nfs/dbraw/zinc/37/58/73/1020375873.db2.gz KNTZMWBZOHMUBA-DBXWQHBBSA-N 2 2 356.514 2.804 20 30 FFEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCC(CC)([NH+]3CCOCC3)CC2)cc1 ZINC000931328991 1020424789 /nfs/dbraw/zinc/42/47/89/1020424789.db2.gz IQNNJBPBBOCPCT-UHFFFAOYSA-N 2 2 369.509 2.573 20 30 FFEDLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccccc1C#N)C2 ZINC001098981759 1021524980 /nfs/dbraw/zinc/52/49/80/1021524980.db2.gz NPLOVIFDCKIWNH-ONTIZHBOSA-N 2 2 366.509 2.513 20 30 FFEDLP C[N@H+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](Cc1ccccc1C#N)C2 ZINC001098981759 1021524991 /nfs/dbraw/zinc/52/49/91/1021524991.db2.gz NPLOVIFDCKIWNH-ONTIZHBOSA-N 2 2 366.509 2.513 20 30 FFEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC001098981759 1021525000 /nfs/dbraw/zinc/52/50/00/1021525000.db2.gz NPLOVIFDCKIWNH-ONTIZHBOSA-N 2 2 366.509 2.513 20 30 FFEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001098981759 1021525011 /nfs/dbraw/zinc/52/50/11/1021525011.db2.gz NPLOVIFDCKIWNH-ONTIZHBOSA-N 2 2 366.509 2.513 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001122440697 1023269310 /nfs/dbraw/zinc/26/93/10/1023269310.db2.gz JAGWTRIMUICCQB-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001122440697 1023269316 /nfs/dbraw/zinc/26/93/16/1023269316.db2.gz JAGWTRIMUICCQB-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102071576 1025391843 /nfs/dbraw/zinc/39/18/43/1025391843.db2.gz PFPQVMFTQFUSLJ-OIISXLGYSA-N 2 2 352.910 2.907 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102071576 1025391857 /nfs/dbraw/zinc/39/18/57/1025391857.db2.gz PFPQVMFTQFUSLJ-OIISXLGYSA-N 2 2 352.910 2.907 20 30 FFEDLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413477 1025930136 /nfs/dbraw/zinc/93/01/36/1025930136.db2.gz IBRYMRVFOLBEPD-BZUAXINKSA-N 2 2 371.510 2.652 20 30 FFEDLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413477 1025930149 /nfs/dbraw/zinc/93/01/49/1025930149.db2.gz IBRYMRVFOLBEPD-BZUAXINKSA-N 2 2 371.510 2.652 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001103070653 1026931692 /nfs/dbraw/zinc/93/16/92/1026931692.db2.gz PKINERQLOZPDFO-HUUCEWRRSA-N 2 2 371.510 2.550 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001103070653 1026931701 /nfs/dbraw/zinc/93/17/01/1026931701.db2.gz PKINERQLOZPDFO-HUUCEWRRSA-N 2 2 371.510 2.550 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001103070653 1026931710 /nfs/dbraw/zinc/93/17/10/1026931710.db2.gz PKINERQLOZPDFO-HUUCEWRRSA-N 2 2 371.510 2.550 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001103070653 1026931717 /nfs/dbraw/zinc/93/17/17/1026931717.db2.gz PKINERQLOZPDFO-HUUCEWRRSA-N 2 2 371.510 2.550 20 30 FFEDLP N#C[C@@H](c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nn1)c1ccccc1F ZINC001155057253 1028561668 /nfs/dbraw/zinc/56/16/68/1028561668.db2.gz BQGGJBHMHZMQKE-MRXNPFEDSA-N 2 2 362.412 2.924 20 30 FFEDLP C[NH+](C)C1(CNc2ncc(C#N)c3oc(C(C)(C)C)nc32)CC[NH+](C)CC1 ZINC001164211892 1029204876 /nfs/dbraw/zinc/20/48/76/1029204876.db2.gz VIEFAGGAVKYLLZ-UHFFFAOYSA-N 2 2 370.501 2.830 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1F ZINC001205674644 1031926306 /nfs/dbraw/zinc/92/63/06/1031926306.db2.gz XOCPYXXRFMMSLN-AZUAARDMSA-N 2 2 370.472 2.652 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220778717 1034394535 /nfs/dbraw/zinc/39/45/35/1034394535.db2.gz DRKZVRPUKGAKCI-FCEUIQTBSA-N 2 2 366.509 2.833 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220778717 1034394543 /nfs/dbraw/zinc/39/45/43/1034394543.db2.gz DRKZVRPUKGAKCI-FCEUIQTBSA-N 2 2 366.509 2.833 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001140113317 1035345131 /nfs/dbraw/zinc/34/51/31/1035345131.db2.gz WPBCZAAGDWYDMY-PMACEKPBSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001140113316 1035345640 /nfs/dbraw/zinc/34/56/40/1035345640.db2.gz WPBCZAAGDWYDMY-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001140113316 1035345644 /nfs/dbraw/zinc/34/56/44/1035345644.db2.gz WPBCZAAGDWYDMY-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@H+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001140113316 1035345646 /nfs/dbraw/zinc/34/56/46/1035345646.db2.gz WPBCZAAGDWYDMY-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](Cc5cccnc5)C[C@H]4C3)c2c1 ZINC001140113316 1035345650 /nfs/dbraw/zinc/34/56/50/1035345650.db2.gz WPBCZAAGDWYDMY-BGYRXZFFSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001233043862 1036288908 /nfs/dbraw/zinc/28/89/08/1036288908.db2.gz ILWPZPDCGXVCFT-UHFFFAOYSA-N 2 2 350.466 2.753 20 30 FFEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001233043862 1036288920 /nfs/dbraw/zinc/28/89/20/1036288920.db2.gz ILWPZPDCGXVCFT-UHFFFAOYSA-N 2 2 350.466 2.753 20 30 FFEDLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC001228800254 1036332268 /nfs/dbraw/zinc/33/22/68/1036332268.db2.gz GGSOMSKVIUHVPV-RTBURBONSA-N 2 2 370.884 2.674 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)c(Cl)c4)C[C@H]3C2)cn1 ZINC001232114864 1038179671 /nfs/dbraw/zinc/17/96/71/1038179671.db2.gz XVTHHIJYASOZEI-RTBURBONSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)c(Cl)c4)C[C@H]3C2)cn1 ZINC001232114864 1038179673 /nfs/dbraw/zinc/17/96/73/1038179673.db2.gz XVTHHIJYASOZEI-RTBURBONSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C#N)c(Cl)c4)C[C@H]3C2)cn1 ZINC001232114864 1038179677 /nfs/dbraw/zinc/17/96/77/1038179677.db2.gz XVTHHIJYASOZEI-RTBURBONSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C#N)c(Cl)c4)C[C@H]3C2)cn1 ZINC001232114864 1038179682 /nfs/dbraw/zinc/17/96/82/1038179682.db2.gz XVTHHIJYASOZEI-RTBURBONSA-N 2 2 369.900 2.899 20 30 FFEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001209477563 1038915058 /nfs/dbraw/zinc/91/50/58/1038915058.db2.gz GDTKVJRFUICCQF-RDTXWAMCSA-N 2 2 371.510 2.542 20 30 FFEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001209477563 1038915069 /nfs/dbraw/zinc/91/50/69/1038915069.db2.gz GDTKVJRFUICCQF-RDTXWAMCSA-N 2 2 371.510 2.542 20 30 FFEDLP N#Cc1cccc(NC(=O)CC[NH2+]CC2([NH+]3CCSCC3)CCCC2)c1 ZINC001261435975 1041234813 /nfs/dbraw/zinc/23/48/13/1041234813.db2.gz LQTGJDGUJFBYRX-UHFFFAOYSA-N 2 2 372.538 2.838 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001263287542 1042223000 /nfs/dbraw/zinc/22/30/00/1042223000.db2.gz LIEDOTNYMUOFIT-QZTJIDSGSA-N 2 2 360.550 2.617 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001263287542 1042223002 /nfs/dbraw/zinc/22/30/02/1042223002.db2.gz LIEDOTNYMUOFIT-QZTJIDSGSA-N 2 2 360.550 2.617 20 30 FFEDLP C=CCOCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001263993801 1042570073 /nfs/dbraw/zinc/57/00/73/1042570073.db2.gz SPMHKTQUEQPWPA-WBVHZDCISA-N 2 2 356.470 2.596 20 30 FFEDLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001264169834 1042650869 /nfs/dbraw/zinc/65/08/69/1042650869.db2.gz XYRLJLPUILKAPA-APWZRJJASA-N 2 2 361.917 2.612 20 30 FFEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001264169834 1042650873 /nfs/dbraw/zinc/65/08/73/1042650873.db2.gz XYRLJLPUILKAPA-APWZRJJASA-N 2 2 361.917 2.612 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001264169834 1042650874 /nfs/dbraw/zinc/65/08/74/1042650874.db2.gz XYRLJLPUILKAPA-APWZRJJASA-N 2 2 361.917 2.612 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC001264169834 1042650876 /nfs/dbraw/zinc/65/08/76/1042650876.db2.gz XYRLJLPUILKAPA-APWZRJJASA-N 2 2 361.917 2.612 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001322611640 1046149817 /nfs/dbraw/zinc/14/98/17/1046149817.db2.gz RIWFAJVPZUPVCF-UHFFFAOYSA-N 3 2 360.521 2.708 20 30 FFEDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(Oc4ccc(C#N)cc4)C3)cc2)CC1 ZINC001324710428 1046180971 /nfs/dbraw/zinc/18/09/71/1046180971.db2.gz KYDVTLGINLLYNK-UHFFFAOYSA-N 2 2 362.477 2.573 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001340296636 1050697213 /nfs/dbraw/zinc/69/72/13/1050697213.db2.gz GAFIBOKBSGLRSG-SFHVURJKSA-N 2 2 372.561 2.761 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001340296636 1050697220 /nfs/dbraw/zinc/69/72/20/1050697220.db2.gz GAFIBOKBSGLRSG-SFHVURJKSA-N 2 2 372.561 2.761 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001351656695 1054942337 /nfs/dbraw/zinc/94/23/37/1054942337.db2.gz KNKGUMJRCDAVOQ-MSOLQXFVSA-N 2 2 360.550 2.617 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001351656695 1054942349 /nfs/dbraw/zinc/94/23/49/1054942349.db2.gz KNKGUMJRCDAVOQ-MSOLQXFVSA-N 2 2 360.550 2.617 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001338926714 1055940222 /nfs/dbraw/zinc/94/02/22/1055940222.db2.gz HJKDVDJCLDWUOW-UHFFFAOYSA-N 2 2 372.561 2.905 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001520305307 1059588588 /nfs/dbraw/zinc/58/85/88/1059588588.db2.gz JTXXYHLYEHSAQD-RDGPPVDQSA-N 2 2 372.561 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001520305307 1059588609 /nfs/dbraw/zinc/58/86/09/1059588609.db2.gz JTXXYHLYEHSAQD-RDGPPVDQSA-N 2 2 372.561 2.787 20 30 FFEDLP CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNCCCn2cc[nH+]c2)c1C ZINC000848419653 1059981124 /nfs/dbraw/zinc/98/11/24/1059981124.db2.gz ZZAMAAXARYZQMD-HXUWFJFHSA-N 2 2 356.518 2.800 20 30 FFEDLP CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNCCCn2cc[nH+]c2)c1C ZINC000848419653 1059981150 /nfs/dbraw/zinc/98/11/50/1059981150.db2.gz ZZAMAAXARYZQMD-HXUWFJFHSA-N 2 2 356.518 2.800 20 30 FFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1OCC ZINC001565949786 1076807683 /nfs/dbraw/zinc/80/76/83/1076807683.db2.gz SUMZLJGDPLPLIX-ZHALLVOQSA-N 2 2 370.497 2.756 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC001566044062 1076872325 /nfs/dbraw/zinc/87/23/25/1076872325.db2.gz FQOGEBCTANHPPW-OTWHNJEPSA-N 2 2 370.541 2.897 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC001566044062 1076872331 /nfs/dbraw/zinc/87/23/31/1076872331.db2.gz FQOGEBCTANHPPW-OTWHNJEPSA-N 2 2 370.541 2.897 20 30 FFEDLP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331578602 258191418 /nfs/dbraw/zinc/19/14/18/258191418.db2.gz RANGOASGHSFBAH-UXPWSPDFSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331578602 258191419 /nfs/dbraw/zinc/19/14/19/258191419.db2.gz RANGOASGHSFBAH-UXPWSPDFSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331578602 258191420 /nfs/dbraw/zinc/19/14/20/258191420.db2.gz RANGOASGHSFBAH-UXPWSPDFSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331578602 258191421 /nfs/dbraw/zinc/19/14/21/258191421.db2.gz RANGOASGHSFBAH-UXPWSPDFSA-N 2 2 354.498 2.858 20 30 FFEDLP C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000409729729 512135436 /nfs/dbraw/zinc/13/54/36/512135436.db2.gz SWFHWAAEBMRGOT-ZDUSSCGKSA-N 2 2 367.419 2.577 20 30 FFEDLP C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000409729729 512135437 /nfs/dbraw/zinc/13/54/37/512135437.db2.gz SWFHWAAEBMRGOT-ZDUSSCGKSA-N 2 2 367.419 2.577 20 30 FFEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000410393293 512253089 /nfs/dbraw/zinc/25/30/89/512253089.db2.gz VKJWVJMRRAWOFS-IRLDBZIGSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000410393293 512253093 /nfs/dbraw/zinc/25/30/93/512253093.db2.gz VKJWVJMRRAWOFS-IRLDBZIGSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000410393293 512253100 /nfs/dbraw/zinc/25/31/00/512253100.db2.gz VKJWVJMRRAWOFS-IRLDBZIGSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000410393293 512253106 /nfs/dbraw/zinc/25/31/06/512253106.db2.gz VKJWVJMRRAWOFS-IRLDBZIGSA-N 2 2 353.510 2.761 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000079440455 507962346 /nfs/dbraw/zinc/96/23/46/507962346.db2.gz RAPIRQXZRJVPGD-IBGZPJMESA-N 2 2 371.529 2.612 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000377647706 512376093 /nfs/dbraw/zinc/37/60/93/512376093.db2.gz SJSVUVNZPPSQNJ-UHFFFAOYSA-N 2 2 350.422 2.744 20 30 FFEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109796 508159662 /nfs/dbraw/zinc/15/96/62/508159662.db2.gz RMCREANDJMXKEK-HXUWFJFHSA-N 2 2 368.525 2.783 20 30 FFEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109796 508159665 /nfs/dbraw/zinc/15/96/65/508159665.db2.gz RMCREANDJMXKEK-HXUWFJFHSA-N 2 2 368.525 2.783 20 30 FFEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109796 508159669 /nfs/dbraw/zinc/15/96/69/508159669.db2.gz RMCREANDJMXKEK-HXUWFJFHSA-N 2 2 368.525 2.783 20 30 FFEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109796 508159673 /nfs/dbraw/zinc/15/96/73/508159673.db2.gz RMCREANDJMXKEK-HXUWFJFHSA-N 2 2 368.525 2.783 20 30 FFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000081517106 508184765 /nfs/dbraw/zinc/18/47/65/508184765.db2.gz ZFQIYDRYBBKIME-JMDAGXMHSA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000081517106 508184768 /nfs/dbraw/zinc/18/47/68/508184768.db2.gz ZFQIYDRYBBKIME-JMDAGXMHSA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000081517106 508184769 /nfs/dbraw/zinc/18/47/69/508184769.db2.gz ZFQIYDRYBBKIME-JMDAGXMHSA-N 2 2 362.562 2.969 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000081517106 508184771 /nfs/dbraw/zinc/18/47/71/508184771.db2.gz ZFQIYDRYBBKIME-JMDAGXMHSA-N 2 2 362.562 2.969 20 30 FFEDLP CC[NH+]=C(NCCc1ccncc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160018527 508926502 /nfs/dbraw/zinc/92/65/02/508926502.db2.gz VMZMUVYEFAJYAX-QFBILLFUSA-N 2 2 354.502 2.678 20 30 FFEDLP CCO[C@H]1C[C@](CO)([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000188905208 509318877 /nfs/dbraw/zinc/31/88/77/509318877.db2.gz IOJQXAPDGREXQM-RBBKRZOGSA-N 2 2 371.525 2.678 20 30 FFEDLP Cc1sc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C#N)c1C ZINC000177115914 509881614 /nfs/dbraw/zinc/88/16/14/509881614.db2.gz WNKBGJHLEPGOCO-UHFFFAOYSA-N 2 2 360.527 2.983 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971560 509882046 /nfs/dbraw/zinc/88/20/46/509882046.db2.gz ROSVFENBLZJBLS-SFHVURJKSA-N 2 2 371.529 2.628 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971560 509882054 /nfs/dbraw/zinc/88/20/54/509882054.db2.gz ROSVFENBLZJBLS-SFHVURJKSA-N 2 2 371.529 2.628 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245447140 509942722 /nfs/dbraw/zinc/94/27/22/509942722.db2.gz LVUKBAHBWVLTSU-RTBURBONSA-N 2 2 356.514 2.985 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000245447140 509942728 /nfs/dbraw/zinc/94/27/28/509942728.db2.gz LVUKBAHBWVLTSU-RTBURBONSA-N 2 2 356.514 2.985 20 30 FFEDLP C=CCOCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245623227 510045908 /nfs/dbraw/zinc/04/59/08/510045908.db2.gz BMHKPGDWAVEMTL-VQTJNVASSA-N 2 2 365.562 2.765 20 30 FFEDLP C=CCOCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245623227 510045914 /nfs/dbraw/zinc/04/59/14/510045914.db2.gz BMHKPGDWAVEMTL-VQTJNVASSA-N 2 2 365.562 2.765 20 30 FFEDLP CO[C@H](C)c1noc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000177568689 510137966 /nfs/dbraw/zinc/13/79/66/510137966.db2.gz ZMFBNNROFWGEON-CQSZACIVSA-N 2 2 373.457 2.600 20 30 FFEDLP C[N@H+](CCOc1ccccc1C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657981 510234661 /nfs/dbraw/zinc/23/46/61/510234661.db2.gz JJGVXBBPKRYMLF-UHFFFAOYSA-N 2 2 364.493 2.971 20 30 FFEDLP C[N@@H+](CCOc1ccccc1C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657981 510234664 /nfs/dbraw/zinc/23/46/64/510234664.db2.gz JJGVXBBPKRYMLF-UHFFFAOYSA-N 2 2 364.493 2.971 20 30 FFEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000269124797 510246182 /nfs/dbraw/zinc/24/61/82/510246182.db2.gz CDPLYWLQDVYCQO-UHFFFAOYSA-N 2 2 366.425 2.524 20 30 FFEDLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000269391998 510379736 /nfs/dbraw/zinc/37/97/36/510379736.db2.gz DCHHYKCJFBZSCH-UHFFFAOYSA-N 2 2 352.457 2.735 20 30 FFEDLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000269391998 510379744 /nfs/dbraw/zinc/37/97/44/510379744.db2.gz DCHHYKCJFBZSCH-UHFFFAOYSA-N 2 2 352.457 2.735 20 30 FFEDLP N#CCCN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246893339 510730891 /nfs/dbraw/zinc/73/08/91/510730891.db2.gz RCFXUCCUMLOSCW-GHTZIAJQSA-N 2 2 366.509 2.882 20 30 FFEDLP N#CCCN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246893339 510730894 /nfs/dbraw/zinc/73/08/94/510730894.db2.gz RCFXUCCUMLOSCW-GHTZIAJQSA-N 2 2 366.509 2.882 20 30 FFEDLP N#CCCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246893339 510730895 /nfs/dbraw/zinc/73/08/95/510730895.db2.gz RCFXUCCUMLOSCW-GHTZIAJQSA-N 2 2 366.509 2.882 20 30 FFEDLP N#CCCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246893339 510730897 /nfs/dbraw/zinc/73/08/97/510730897.db2.gz RCFXUCCUMLOSCW-GHTZIAJQSA-N 2 2 366.509 2.882 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266733917 510756562 /nfs/dbraw/zinc/75/65/62/510756562.db2.gz KBHJLHVXPHSTLS-NGEICVOHSA-N 2 2 357.502 2.908 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247116280 510839038 /nfs/dbraw/zinc/83/90/38/510839038.db2.gz YRTAPUWOHMMZLA-RBUKOAKNSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247116280 510839041 /nfs/dbraw/zinc/83/90/41/510839041.db2.gz YRTAPUWOHMMZLA-RBUKOAKNSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247116280 510839044 /nfs/dbraw/zinc/83/90/44/510839044.db2.gz YRTAPUWOHMMZLA-RBUKOAKNSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247116280 510839047 /nfs/dbraw/zinc/83/90/47/510839047.db2.gz YRTAPUWOHMMZLA-RBUKOAKNSA-N 2 2 356.514 2.965 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247206821 510851936 /nfs/dbraw/zinc/85/19/36/510851936.db2.gz WOQMZOGKHKHICP-DYXWJJEUSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247206821 510851938 /nfs/dbraw/zinc/85/19/38/510851938.db2.gz WOQMZOGKHKHICP-DYXWJJEUSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247206821 510851939 /nfs/dbraw/zinc/85/19/39/510851939.db2.gz WOQMZOGKHKHICP-DYXWJJEUSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247206821 510851941 /nfs/dbraw/zinc/85/19/41/510851941.db2.gz WOQMZOGKHKHICP-DYXWJJEUSA-N 2 2 370.541 2.979 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383326 510884154 /nfs/dbraw/zinc/88/41/54/510884154.db2.gz BONNZUHVYWNPRO-FCHUYYIVSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383326 510884157 /nfs/dbraw/zinc/88/41/57/510884157.db2.gz BONNZUHVYWNPRO-FCHUYYIVSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383326 510884159 /nfs/dbraw/zinc/88/41/59/510884159.db2.gz BONNZUHVYWNPRO-FCHUYYIVSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383326 510884160 /nfs/dbraw/zinc/88/41/60/510884160.db2.gz BONNZUHVYWNPRO-FCHUYYIVSA-N 2 2 368.525 2.639 20 30 FFEDLP C[N@H+](CC(=O)Nc1ccccc1SCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285658107 510998875 /nfs/dbraw/zinc/99/88/75/510998875.db2.gz YWBNWOKDHZXDOA-XYPWUTKMSA-N 2 2 358.511 2.798 20 30 FFEDLP C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285658107 510998879 /nfs/dbraw/zinc/99/88/79/510998879.db2.gz YWBNWOKDHZXDOA-XYPWUTKMSA-N 2 2 358.511 2.798 20 30 FFEDLP C[NH+](CC(=O)Nc1ccccc1SCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285658107 510998882 /nfs/dbraw/zinc/99/88/82/510998882.db2.gz YWBNWOKDHZXDOA-XYPWUTKMSA-N 2 2 358.511 2.798 20 30 FFEDLP C[NH+](CC(=O)Nc1ccccc1SCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285658107 510998886 /nfs/dbraw/zinc/99/88/86/510998886.db2.gz YWBNWOKDHZXDOA-XYPWUTKMSA-N 2 2 358.511 2.798 20 30 FFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@H]21 ZINC000279487143 511100813 /nfs/dbraw/zinc/10/08/13/511100813.db2.gz XQHHSFVTSNQDMX-UYAOXDASSA-N 2 2 364.497 2.775 20 30 FFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@H]21 ZINC000279487143 511100818 /nfs/dbraw/zinc/10/08/18/511100818.db2.gz XQHHSFVTSNQDMX-UYAOXDASSA-N 2 2 364.497 2.775 20 30 FFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@H]21 ZINC000279487143 511100822 /nfs/dbraw/zinc/10/08/22/511100822.db2.gz XQHHSFVTSNQDMX-UYAOXDASSA-N 2 2 364.497 2.775 20 30 FFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)CC[C@H]21 ZINC000279487143 511100826 /nfs/dbraw/zinc/10/08/26/511100826.db2.gz XQHHSFVTSNQDMX-UYAOXDASSA-N 2 2 364.497 2.775 20 30 FFEDLP Cn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000364877608 511129708 /nfs/dbraw/zinc/12/97/08/511129708.db2.gz HIIDBIDLAALQOQ-UHFFFAOYSA-N 2 2 369.432 2.829 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000280276042 511402976 /nfs/dbraw/zinc/40/29/76/511402976.db2.gz RRBIDSWKLMYOHO-UHFFFAOYSA-N 2 2 353.470 2.744 20 30 FFEDLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000328880802 511945530 /nfs/dbraw/zinc/94/55/30/511945530.db2.gz WCWSIPHEZJILLX-MRXNPFEDSA-N 2 2 360.502 2.804 20 30 FFEDLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329435044 512046237 /nfs/dbraw/zinc/04/62/37/512046237.db2.gz LJPKIWVSEUOJFH-ZACQAIPSSA-N 2 2 373.545 2.968 20 30 FFEDLP C[NH+]1CCC(C)(C[NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329518916 512062403 /nfs/dbraw/zinc/06/24/03/512062403.db2.gz PXJLFKXSCUEYLH-OAHLLOKOSA-N 2 2 361.534 2.731 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000329726464 512091047 /nfs/dbraw/zinc/09/10/47/512091047.db2.gz OLYVBBAMRFAPRQ-AEFFLSMTSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000329726464 512091052 /nfs/dbraw/zinc/09/10/52/512091052.db2.gz OLYVBBAMRFAPRQ-AEFFLSMTSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000329726464 512091057 /nfs/dbraw/zinc/09/10/57/512091057.db2.gz OLYVBBAMRFAPRQ-AEFFLSMTSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000329726464 512091062 /nfs/dbraw/zinc/09/10/62/512091062.db2.gz OLYVBBAMRFAPRQ-AEFFLSMTSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C[C@@H]1[NH+](C)C ZINC000329776085 512096545 /nfs/dbraw/zinc/09/65/45/512096545.db2.gz NSWVOPACHMGPIK-FMKPAKJESA-N 2 2 365.547 2.802 20 30 FFEDLP C[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C[C@@H]1[NH+](C)C ZINC000329776085 512096547 /nfs/dbraw/zinc/09/65/47/512096547.db2.gz NSWVOPACHMGPIK-FMKPAKJESA-N 2 2 365.547 2.802 20 30 FFEDLP C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)[NH+]1CCCCCC1 ZINC000329894506 512105797 /nfs/dbraw/zinc/10/57/97/512105797.db2.gz BIBOUHMIXJFIAS-ULQDDVLXSA-N 2 2 365.497 2.554 20 30 FFEDLP C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000411645047 512734222 /nfs/dbraw/zinc/73/42/22/512734222.db2.gz SCWNDAHLQRDTRU-MRXNPFEDSA-N 2 2 355.486 2.843 20 30 FFEDLP C=CC[N@H+](C)CCN(CC)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000411645047 512734224 /nfs/dbraw/zinc/73/42/24/512734224.db2.gz SCWNDAHLQRDTRU-MRXNPFEDSA-N 2 2 355.486 2.843 20 30 FFEDLP C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374520782 512871089 /nfs/dbraw/zinc/87/10/89/512871089.db2.gz NSPWQUWADGJCSC-DENIHFKCSA-N 2 2 368.525 2.685 20 30 FFEDLP C[C@](C#N)(NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374520782 512871093 /nfs/dbraw/zinc/87/10/93/512871093.db2.gz NSPWQUWADGJCSC-DENIHFKCSA-N 2 2 368.525 2.685 20 30 FFEDLP C=CCn1c(N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)nnc1C(C)(C)C ZINC000421261953 513186357 /nfs/dbraw/zinc/18/63/57/513186357.db2.gz ANAYCTSYDFIMHZ-UHFFFAOYSA-N 2 2 374.577 2.758 20 30 FFEDLP C=CCn1c(N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)nnc1C(C)(C)C ZINC000421261953 513186363 /nfs/dbraw/zinc/18/63/63/513186363.db2.gz ANAYCTSYDFIMHZ-UHFFFAOYSA-N 2 2 374.577 2.758 20 30 FFEDLP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000415989649 513521805 /nfs/dbraw/zinc/52/18/05/513521805.db2.gz LROQFFPUKBJMJP-UHFFFAOYSA-N 2 2 363.465 2.627 20 30 FFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000441254657 513522341 /nfs/dbraw/zinc/52/23/41/513522341.db2.gz FUZJADWZAMXFCT-NUJGCVRESA-N 2 2 365.424 2.843 20 30 FFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000441254657 513522347 /nfs/dbraw/zinc/52/23/47/513522347.db2.gz FUZJADWZAMXFCT-NUJGCVRESA-N 2 2 365.424 2.843 20 30 FFEDLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485363564 515009704 /nfs/dbraw/zinc/00/97/04/515009704.db2.gz ZDZRJFFVYDRDFU-ORYQWCPZSA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485363564 515009710 /nfs/dbraw/zinc/00/97/10/515009710.db2.gz ZDZRJFFVYDRDFU-ORYQWCPZSA-N 2 2 362.477 2.585 20 30 FFEDLP C=CCc1cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc(OC)c1O ZINC000529665293 517270680 /nfs/dbraw/zinc/27/06/80/517270680.db2.gz WTPZLOKHYVWZNS-UHFFFAOYSA-N 2 2 360.498 2.816 20 30 FFEDLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000584384050 518311428 /nfs/dbraw/zinc/31/14/28/518311428.db2.gz DMMVYZQTMKUGPJ-GOSISDBHSA-N 2 2 371.529 2.506 20 30 FFEDLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000584384050 518311436 /nfs/dbraw/zinc/31/14/36/518311436.db2.gz DMMVYZQTMKUGPJ-GOSISDBHSA-N 2 2 371.529 2.506 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567888644 518768197 /nfs/dbraw/zinc/76/81/97/518768197.db2.gz MQCSRHNQCACSRS-JXFKEZNVSA-N 2 2 360.465 2.601 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567888644 518768203 /nfs/dbraw/zinc/76/82/03/518768203.db2.gz MQCSRHNQCACSRS-JXFKEZNVSA-N 2 2 360.465 2.601 20 30 FFEDLP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000568175998 518907392 /nfs/dbraw/zinc/90/73/92/518907392.db2.gz NUWBLKICVPDTJZ-UHFFFAOYSA-N 2 2 353.470 2.573 20 30 FFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000574946679 519416695 /nfs/dbraw/zinc/41/66/95/519416695.db2.gz SWKPRTKLJGIMAY-JOCHJYFZSA-N 3 2 361.493 2.742 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000584108520 519594205 /nfs/dbraw/zinc/59/42/05/519594205.db2.gz HOYPATCTHQQOBJ-OALUTQOASA-N 2 2 355.482 2.827 20 30 FFEDLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)C[C@@H](C)O1 ZINC000594441401 519966715 /nfs/dbraw/zinc/96/67/15/519966715.db2.gz RMYMCBHOVCFJGW-NUJGCVRESA-N 2 2 358.486 2.646 20 30 FFEDLP N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000609671575 520401613 /nfs/dbraw/zinc/40/16/13/520401613.db2.gz IDACRISIWWCXQL-FQEVSTJZSA-N 2 2 354.498 2.673 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000600736097 520435430 /nfs/dbraw/zinc/43/54/30/520435430.db2.gz QKODQHASDBLQQU-LDQXTDLNSA-N 2 2 353.466 2.579 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604209550 520492285 /nfs/dbraw/zinc/49/22/85/520492285.db2.gz QCYNBLCHBOUAEG-INIZCTEOSA-N 2 2 362.543 2.614 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604209550 520492291 /nfs/dbraw/zinc/49/22/91/520492291.db2.gz QCYNBLCHBOUAEG-INIZCTEOSA-N 2 2 362.543 2.614 20 30 FFEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000596774553 521274666 /nfs/dbraw/zinc/27/46/66/521274666.db2.gz ODWXEZUNNKZLLV-UHFFFAOYSA-N 2 2 371.407 2.582 20 30 FFEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000596774553 521274670 /nfs/dbraw/zinc/27/46/70/521274670.db2.gz ODWXEZUNNKZLLV-UHFFFAOYSA-N 2 2 371.407 2.582 20 30 FFEDLP N#CCCn1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccncc2)n1 ZINC000619068781 521381259 /nfs/dbraw/zinc/38/12/59/521381259.db2.gz FNFWSKHBVHRPCX-LJQANCHMSA-N 2 2 361.453 2.892 20 30 FFEDLP N#CCCn1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccncc2)n1 ZINC000619068781 521381265 /nfs/dbraw/zinc/38/12/65/521381265.db2.gz FNFWSKHBVHRPCX-LJQANCHMSA-N 2 2 361.453 2.892 20 30 FFEDLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cccc(C#N)n2)CCOCC1)c1ccccc1 ZINC000602557274 521410380 /nfs/dbraw/zinc/41/03/80/521410380.db2.gz YRCGDSVLZLVSKM-QGZVFWFLSA-N 2 2 350.466 2.943 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000730103489 734615879 /nfs/dbraw/zinc/61/58/79/734615879.db2.gz DXEKWTOMMIIEIO-OALUTQOASA-N 2 2 361.917 2.937 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000730103489 734615881 /nfs/dbraw/zinc/61/58/81/734615881.db2.gz DXEKWTOMMIIEIO-OALUTQOASA-N 2 2 361.917 2.937 20 30 FFEDLP C#Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000933373129 739611806 /nfs/dbraw/zinc/61/18/06/739611806.db2.gz WQNYPDLMNPGOFJ-UHFFFAOYSA-N 2 2 362.905 2.811 20 30 FFEDLP C#Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000933373129 739611808 /nfs/dbraw/zinc/61/18/08/739611808.db2.gz WQNYPDLMNPGOFJ-UHFFFAOYSA-N 2 2 362.905 2.811 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040403512 743003339 /nfs/dbraw/zinc/00/33/39/743003339.db2.gz PHOGFFGZBVCXEO-MDZRGWNJSA-N 2 2 362.905 2.591 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040403512 743003345 /nfs/dbraw/zinc/00/33/45/743003345.db2.gz PHOGFFGZBVCXEO-MDZRGWNJSA-N 2 2 362.905 2.591 20 30 FFEDLP N#Cc1ccccc1C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001026509118 971616793 /nfs/dbraw/zinc/61/67/93/971616793.db2.gz AJUWDDTXBJGZFH-CSODTCANSA-N 2 2 363.465 2.602 20 30 FFEDLP C[C@H](C[NH+]1CCCCC1)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000120074052 958821521 /nfs/dbraw/zinc/82/15/21/958821521.db2.gz ALPTYQLRVWMNGF-OAHLLOKOSA-N 2 2 367.497 2.521 20 30 FFEDLP CC[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261940509 964255376 /nfs/dbraw/zinc/25/53/76/964255376.db2.gz DNIKXNSZTKXCIY-FHWLQOOXSA-N 3 2 360.550 2.606 20 30 FFEDLP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261940509 964255392 /nfs/dbraw/zinc/25/53/92/964255392.db2.gz DNIKXNSZTKXCIY-FHWLQOOXSA-N 3 2 360.550 2.606 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087465772 964383348 /nfs/dbraw/zinc/38/33/48/964383348.db2.gz IAPNIXMTBHNRIB-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087465772 964383360 /nfs/dbraw/zinc/38/33/60/964383360.db2.gz IAPNIXMTBHNRIB-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001087465772 964383372 /nfs/dbraw/zinc/38/33/72/964383372.db2.gz IAPNIXMTBHNRIB-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001087465772 964383381 /nfs/dbraw/zinc/38/33/81/964383381.db2.gz IAPNIXMTBHNRIB-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261937794 964673243 /nfs/dbraw/zinc/67/32/43/964673243.db2.gz CWRMCQXWVJTKPS-FFGOWVMKSA-N 2 2 351.498 2.973 20 30 FFEDLP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262011461 965308979 /nfs/dbraw/zinc/30/89/79/965308979.db2.gz WRYNMYVQGHOJSD-JPLJXNOCSA-N 2 2 361.534 2.673 20 30 FFEDLP C=CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)nn1 ZINC000657300465 965998962 /nfs/dbraw/zinc/99/89/62/965998962.db2.gz FVKGEYLBCWOBCG-QZTJIDSGSA-N 2 2 369.513 2.753 20 30 FFEDLP C=CCCn1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nn1 ZINC000657348877 966247830 /nfs/dbraw/zinc/24/78/30/966247830.db2.gz KNMWNEWVFIKCMV-MRXNPFEDSA-N 2 2 372.492 2.596 20 30 FFEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001024989383 969443565 /nfs/dbraw/zinc/44/35/65/969443565.db2.gz JGTVDITYZKYIMC-GUDVDZBRSA-N 2 2 363.465 2.556 20 30 FFEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001024989383 969443569 /nfs/dbraw/zinc/44/35/69/969443569.db2.gz JGTVDITYZKYIMC-GUDVDZBRSA-N 2 2 363.465 2.556 20 30 FFEDLP C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665389879 970633702 /nfs/dbraw/zinc/63/37/02/970633702.db2.gz RBUNVMDYFWYWDN-MISYRCLQSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665389879 970633708 /nfs/dbraw/zinc/63/37/08/970633708.db2.gz RBUNVMDYFWYWDN-MISYRCLQSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000961411422 1014182291 /nfs/dbraw/zinc/18/22/91/1014182291.db2.gz NHVZGVVJKPRTFA-IPMKNSEASA-N 2 2 356.514 2.660 20 30 FFEDLP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000961411422 1014182299 /nfs/dbraw/zinc/18/22/99/1014182299.db2.gz NHVZGVVJKPRTFA-IPMKNSEASA-N 2 2 356.514 2.660 20 30 FFEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662078413 975157091 /nfs/dbraw/zinc/15/70/91/975157091.db2.gz BQXOGHOVLOFQEI-BGYRXZFFSA-N 2 2 355.482 2.640 20 30 FFEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662078413 975157101 /nfs/dbraw/zinc/15/71/01/975157101.db2.gz BQXOGHOVLOFQEI-BGYRXZFFSA-N 2 2 355.482 2.640 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC=C)CC[C@@H]1c1ccccc1 ZINC001087429863 975894254 /nfs/dbraw/zinc/89/42/54/975894254.db2.gz IBWVXIISIPPMSB-VSKRKVRLSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC=C)CC[C@@H]1c1ccccc1 ZINC001087429863 975894266 /nfs/dbraw/zinc/89/42/66/975894266.db2.gz IBWVXIISIPPMSB-VSKRKVRLSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)CC[C@@H]1c1ccccc1 ZINC001087429863 975894278 /nfs/dbraw/zinc/89/42/78/975894278.db2.gz IBWVXIISIPPMSB-VSKRKVRLSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)CC[C@@H]1c1ccccc1 ZINC001087429863 975894283 /nfs/dbraw/zinc/89/42/83/975894283.db2.gz IBWVXIISIPPMSB-VSKRKVRLSA-N 2 2 365.521 2.634 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001087430949 975994062 /nfs/dbraw/zinc/99/40/62/975994062.db2.gz RYGGNZLGTOGTIK-HMXCVIKNSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001087430949 975994066 /nfs/dbraw/zinc/99/40/66/975994066.db2.gz RYGGNZLGTOGTIK-HMXCVIKNSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087460255 978005528 /nfs/dbraw/zinc/00/55/28/978005528.db2.gz ZDQUNKBGMDPBKB-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087460255 978005539 /nfs/dbraw/zinc/00/55/39/978005539.db2.gz ZDQUNKBGMDPBKB-WOJBJXKFSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001088316359 979125776 /nfs/dbraw/zinc/12/57/76/979125776.db2.gz XOYQXYCFGRBLDI-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088692908 982794411 /nfs/dbraw/zinc/79/44/11/982794411.db2.gz CUZPEPPSAZFYGF-JRGCBEDISA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088692908 982794417 /nfs/dbraw/zinc/79/44/17/982794417.db2.gz CUZPEPPSAZFYGF-JRGCBEDISA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088692908 982794425 /nfs/dbraw/zinc/79/44/25/982794425.db2.gz CUZPEPPSAZFYGF-JRGCBEDISA-N 2 2 368.525 2.758 20 30 FFEDLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088692908 982794432 /nfs/dbraw/zinc/79/44/32/982794432.db2.gz CUZPEPPSAZFYGF-JRGCBEDISA-N 2 2 368.525 2.758 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[C@H]1c1ccc(F)cc1 ZINC001079154778 991856590 /nfs/dbraw/zinc/85/65/90/991856590.db2.gz VRBXMZRTKFSIRG-JRBPQWBISA-N 2 2 368.456 2.813 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC001079154778 991856600 /nfs/dbraw/zinc/85/66/00/991856600.db2.gz VRBXMZRTKFSIRG-JRBPQWBISA-N 2 2 368.456 2.813 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1c1ccc(F)cc1 ZINC001079161230 991865394 /nfs/dbraw/zinc/86/53/94/991865394.db2.gz HJTKYCKQQNPTGY-ZWKOTPCHSA-N 2 2 370.472 2.987 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1F ZINC001079315946 991990885 /nfs/dbraw/zinc/99/08/85/991990885.db2.gz OAUXCJSGMOTJEJ-MOXGXCLJSA-N 2 2 370.472 2.888 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001079315946 991990888 /nfs/dbraw/zinc/99/08/88/991990888.db2.gz OAUXCJSGMOTJEJ-MOXGXCLJSA-N 2 2 370.472 2.888 20 30 FFEDLP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000879947977 1015715164 /nfs/dbraw/zinc/71/51/64/1015715164.db2.gz RHLSGDLIRSUVFY-IBGZPJMESA-N 2 2 357.498 2.638 20 30 FFEDLP N#CC1(NC(=O)C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CCCCC1 ZINC000880567622 1015872144 /nfs/dbraw/zinc/87/21/44/1015872144.db2.gz LEWCXBNMANTNGH-GOSISDBHSA-N 2 2 351.454 2.557 20 30 FFEDLP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001054133470 1015943958 /nfs/dbraw/zinc/94/39/58/1015943958.db2.gz DGBPWFDYBUBHLJ-WOIUINJBSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001054133470 1015943963 /nfs/dbraw/zinc/94/39/63/1015943963.db2.gz DGBPWFDYBUBHLJ-WOIUINJBSA-N 2 2 368.525 2.654 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453335 999992852 /nfs/dbraw/zinc/99/28/52/999992852.db2.gz HTAWHRYBEPMBEB-GDBMZVCRSA-N 2 2 372.432 2.826 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000746453335 999992854 /nfs/dbraw/zinc/99/28/54/999992854.db2.gz HTAWHRYBEPMBEB-GDBMZVCRSA-N 2 2 372.432 2.826 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001109428225 1000439846 /nfs/dbraw/zinc/43/98/46/1000439846.db2.gz UHRVOAFABJTFBF-GTAWCEEGSA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001109428225 1000439849 /nfs/dbraw/zinc/43/98/49/1000439849.db2.gz UHRVOAFABJTFBF-GTAWCEEGSA-N 2 2 372.488 2.505 20 30 FFEDLP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358521 1001350459 /nfs/dbraw/zinc/35/04/59/1001350459.db2.gz IONFRPQCBKGAJE-ATZDWAIDSA-N 2 2 365.481 2.850 20 30 FFEDLP C[C@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358521 1001350466 /nfs/dbraw/zinc/35/04/66/1001350466.db2.gz IONFRPQCBKGAJE-ATZDWAIDSA-N 2 2 365.481 2.850 20 30 FFEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001096886337 1016676436 /nfs/dbraw/zinc/67/64/36/1016676436.db2.gz KFAWEFHSIXJUSS-YSTOQKLRSA-N 2 2 371.912 2.507 20 30 FFEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001096886337 1016676442 /nfs/dbraw/zinc/67/64/42/1016676442.db2.gz KFAWEFHSIXJUSS-YSTOQKLRSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096886337 1016676447 /nfs/dbraw/zinc/67/64/47/1016676447.db2.gz KFAWEFHSIXJUSS-YSTOQKLRSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001096886337 1016676454 /nfs/dbraw/zinc/67/64/54/1016676454.db2.gz KFAWEFHSIXJUSS-YSTOQKLRSA-N 2 2 371.912 2.507 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001488888421 1005371350 /nfs/dbraw/zinc/37/13/50/1005371350.db2.gz GSFQTLFITNGJBN-LEWJYISDSA-N 2 2 366.509 2.903 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001488888421 1005371354 /nfs/dbraw/zinc/37/13/54/1005371354.db2.gz GSFQTLFITNGJBN-LEWJYISDSA-N 2 2 366.509 2.903 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001188405984 1006566882 /nfs/dbraw/zinc/56/68/82/1006566882.db2.gz XODPFZRTWATGIK-QFBILLFUSA-N 2 2 362.518 2.853 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001188405984 1006566891 /nfs/dbraw/zinc/56/68/91/1006566891.db2.gz XODPFZRTWATGIK-QFBILLFUSA-N 2 2 362.518 2.853 20 30 FFEDLP C#CCCOc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000113320624 1007338020 /nfs/dbraw/zinc/33/80/20/1007338020.db2.gz IWUUSNRLKZYQMV-JOCHJYFZSA-N 2 2 364.489 2.598 20 30 FFEDLP C#CCCOc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000113320624 1007338035 /nfs/dbraw/zinc/33/80/35/1007338035.db2.gz IWUUSNRLKZYQMV-JOCHJYFZSA-N 2 2 364.489 2.598 20 30 FFEDLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094077730 1010838258 /nfs/dbraw/zinc/83/82/58/1010838258.db2.gz OCRHCCZCYGYNLT-FUHIMQAGSA-N 2 2 365.481 2.590 20 30 FFEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304615 1011738224 /nfs/dbraw/zinc/73/82/24/1011738224.db2.gz OKZOPPJFTSQTMF-KNQAVFIVSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304615 1011738236 /nfs/dbraw/zinc/73/82/36/1011738236.db2.gz OKZOPPJFTSQTMF-KNQAVFIVSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304615 1011738248 /nfs/dbraw/zinc/73/82/48/1011738248.db2.gz OKZOPPJFTSQTMF-KNQAVFIVSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304615 1011738259 /nfs/dbraw/zinc/73/82/59/1011738259.db2.gz OKZOPPJFTSQTMF-KNQAVFIVSA-N 2 2 371.525 2.550 20 30 FFEDLP C[NH+]1CCC2(CC1)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000646106458 1011746957 /nfs/dbraw/zinc/74/69/57/1011746957.db2.gz ZDLCMWMWVBCVIV-UHFFFAOYSA-N 2 2 368.399 2.733 20 30 FFEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCO2 ZINC000646106458 1011746970 /nfs/dbraw/zinc/74/69/70/1011746970.db2.gz ZDLCMWMWVBCVIV-UHFFFAOYSA-N 2 2 368.399 2.733 20 30 FFEDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172973309 1012141720 /nfs/dbraw/zinc/14/17/20/1012141720.db2.gz GATFKORQROYIKH-IKGGRYGDSA-N 2 2 364.534 2.988 20 30 FFEDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172973309 1012141728 /nfs/dbraw/zinc/14/17/28/1012141728.db2.gz GATFKORQROYIKH-IKGGRYGDSA-N 2 2 364.534 2.988 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C[C@H]1C#N ZINC001172992312 1012196849 /nfs/dbraw/zinc/19/68/49/1012196849.db2.gz VNZBHVVCDDSJQH-XHSDSOJGSA-N 2 2 359.474 2.814 20 30 FFEDLP C[NH+]1CCN(CCCC[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000303892203 1012503241 /nfs/dbraw/zinc/50/32/41/1012503241.db2.gz NMOAHJWSGNSDHK-UHFFFAOYSA-N 2 2 357.546 2.968 20 30 FFEDLP CC(C)[N@H+](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1 ZINC001173433937 1012601281 /nfs/dbraw/zinc/60/12/81/1012601281.db2.gz BFGSJYPYDFHINI-UHFFFAOYSA-N 2 2 368.525 2.967 20 30 FFEDLP CC(C)[N@@H+](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1 ZINC001173433937 1012601285 /nfs/dbraw/zinc/60/12/85/1012601285.db2.gz BFGSJYPYDFHINI-UHFFFAOYSA-N 2 2 368.525 2.967 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)ccc1C ZINC001097247912 1017246864 /nfs/dbraw/zinc/24/68/64/1017246864.db2.gz MDOHMSFZSZSPKD-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)ccc1C ZINC001097247912 1017246868 /nfs/dbraw/zinc/24/68/68/1017246868.db2.gz MDOHMSFZSZSPKD-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)ccc1C ZINC001097247912 1017246870 /nfs/dbraw/zinc/24/68/70/1017246870.db2.gz MDOHMSFZSZSPKD-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)ccc1C ZINC001097247912 1017246871 /nfs/dbraw/zinc/24/68/71/1017246871.db2.gz MDOHMSFZSZSPKD-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCN4CCSC[C@H]34)CC2)cc1 ZINC000903270120 1020772108 /nfs/dbraw/zinc/77/21/08/1020772108.db2.gz BTKXXSVOENJCSV-LEWJYISDSA-N 2 2 370.566 2.692 20 30 FFEDLP C[N@H+](Cc1ccc(OCC#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000778488659 1022033340 /nfs/dbraw/zinc/03/33/40/1022033340.db2.gz JQGKNOMPWQXCMH-JOCHJYFZSA-N 2 2 365.477 2.658 20 30 FFEDLP C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000778488659 1022033348 /nfs/dbraw/zinc/03/33/48/1022033348.db2.gz JQGKNOMPWQXCMH-JOCHJYFZSA-N 2 2 365.477 2.658 20 30 FFEDLP C[NH+](Cc1ccc(OCC#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000778488659 1022033363 /nfs/dbraw/zinc/03/33/63/1022033363.db2.gz JQGKNOMPWQXCMH-JOCHJYFZSA-N 2 2 365.477 2.658 20 30 FFEDLP C[NH+](Cc1ccc(OCC#N)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000778488659 1022033379 /nfs/dbraw/zinc/03/33/79/1022033379.db2.gz JQGKNOMPWQXCMH-JOCHJYFZSA-N 2 2 365.477 2.658 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C1 ZINC001218177478 1033034789 /nfs/dbraw/zinc/03/47/89/1033034789.db2.gz VUEXCCKNNJQVRM-VQTJNVASSA-N 2 2 368.481 2.835 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@H]2C1 ZINC001218177478 1033034803 /nfs/dbraw/zinc/03/48/03/1033034803.db2.gz VUEXCCKNNJQVRM-VQTJNVASSA-N 2 2 368.481 2.835 20 30 FFEDLP CC(C)[NH+]1CCC(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC1 ZINC000192916616 1024318171 /nfs/dbraw/zinc/31/81/71/1024318171.db2.gz CCBGTFGRSMWYOL-UHFFFAOYSA-N 2 2 367.497 2.519 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105463 1025433243 /nfs/dbraw/zinc/43/32/43/1025433243.db2.gz RNIMPSNXVWXFRI-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC001102105463 1025433252 /nfs/dbraw/zinc/43/32/52/1025433252.db2.gz RNIMPSNXVWXFRI-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP N#Cc1ccc2c(C[NH+]3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c[nH]c2c1 ZINC001142916690 1031049309 /nfs/dbraw/zinc/04/93/09/1031049309.db2.gz XIGPHSPWYUZTQA-WOJBJXKFSA-N 2 2 357.461 2.998 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001221655886 1034952686 /nfs/dbraw/zinc/95/26/86/1034952686.db2.gz AYFKMYFRGNDQNZ-QWFCFKBJSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001221655886 1034952690 /nfs/dbraw/zinc/95/26/90/1034952690.db2.gz AYFKMYFRGNDQNZ-QWFCFKBJSA-N 2 2 356.514 2.725 20 30 FFEDLP N#Cc1cccc2c(C[N@H+]3CCc4[nH+]cc(Cn5cccn5)n4CC3)c[nH]c21 ZINC001139701804 1035201737 /nfs/dbraw/zinc/20/17/37/1035201737.db2.gz RRSIDHMZTRZXDF-UHFFFAOYSA-N 2 2 371.448 2.539 20 30 FFEDLP N#Cc1cccc2c(C[N@@H+]3CCc4[nH+]cc(Cn5cccn5)n4CC3)c[nH]c21 ZINC001139701804 1035201741 /nfs/dbraw/zinc/20/17/41/1035201741.db2.gz RRSIDHMZTRZXDF-UHFFFAOYSA-N 2 2 371.448 2.539 20 30 FFEDLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(C#N)ccn1)CC2 ZINC001232474994 1035721560 /nfs/dbraw/zinc/72/15/60/1035721560.db2.gz DZSHPCIPULTXEK-LJQANCHMSA-N 2 2 366.465 2.802 20 30 FFEDLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001228853990 1036361257 /nfs/dbraw/zinc/36/12/57/1036361257.db2.gz ULUUEIRYXOSEOG-PWIZWCRZSA-N 2 2 365.481 2.923 20 30 FFEDLP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC001231620240 1037744194 /nfs/dbraw/zinc/74/41/94/1037744194.db2.gz TWGJMTGOSMLVPC-UHFFFAOYSA-N 2 2 358.530 2.806 20 30 FFEDLP C=CCN(CC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(=O)OCC ZINC001209022753 1038637030 /nfs/dbraw/zinc/63/70/30/1038637030.db2.gz SWEJOMAFWSMQDI-PMACEKPBSA-N 2 2 357.498 2.695 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246308404 1039308337 /nfs/dbraw/zinc/30/83/37/1039308337.db2.gz REUDWCILTCMQDZ-GIVPXCGWSA-N 3 2 373.541 2.856 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246308404 1039308349 /nfs/dbraw/zinc/30/83/49/1039308349.db2.gz REUDWCILTCMQDZ-GIVPXCGWSA-N 3 2 373.541 2.856 20 30 FFEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246400418 1039340195 /nfs/dbraw/zinc/34/01/95/1039340195.db2.gz GFMHOXIWGBJVCT-UTKZUKDTSA-N 2 2 365.477 2.930 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210251718 1039450388 /nfs/dbraw/zinc/45/03/88/1039450388.db2.gz ZGMZQUUFXNUNTH-JTDSTZFVSA-N 2 2 353.470 2.672 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001210251718 1039450395 /nfs/dbraw/zinc/45/03/95/1039450395.db2.gz ZGMZQUUFXNUNTH-JTDSTZFVSA-N 2 2 353.470 2.672 20 30 FFEDLP C=C[C@](C)(O)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252550714 1039594574 /nfs/dbraw/zinc/59/45/74/1039594574.db2.gz NYLFMJGJMIACPJ-ROUUACIJSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@](C)(O)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252550714 1039594579 /nfs/dbraw/zinc/59/45/79/1039594579.db2.gz NYLFMJGJMIACPJ-ROUUACIJSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@](C)(O)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001252550714 1039594585 /nfs/dbraw/zinc/59/45/85/1039594585.db2.gz NYLFMJGJMIACPJ-ROUUACIJSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@](C)(O)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001252550714 1039594592 /nfs/dbraw/zinc/59/45/92/1039594592.db2.gz NYLFMJGJMIACPJ-ROUUACIJSA-N 2 2 351.441 2.552 20 30 FFEDLP C#CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CC1 ZINC001253749028 1040352585 /nfs/dbraw/zinc/35/25/85/1040352585.db2.gz BERIJNDMEJYHNI-HXUWFJFHSA-N 2 2 373.928 2.938 20 30 FFEDLP C#CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CC1 ZINC001253749028 1040352595 /nfs/dbraw/zinc/35/25/95/1040352595.db2.gz BERIJNDMEJYHNI-HXUWFJFHSA-N 2 2 373.928 2.938 20 30 FFEDLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)cc1C#N)CC2 ZINC001278749290 1040455009 /nfs/dbraw/zinc/45/50/09/1040455009.db2.gz ICXBIKBPCNHIDA-UHFFFAOYSA-N 2 2 361.461 2.606 20 30 FFEDLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)cc1C#N)CC2 ZINC001278749290 1040455018 /nfs/dbraw/zinc/45/50/18/1040455018.db2.gz ICXBIKBPCNHIDA-UHFFFAOYSA-N 2 2 361.461 2.606 20 30 FFEDLP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001261502512 1041275351 /nfs/dbraw/zinc/27/53/51/1041275351.db2.gz OXLREVODNMTSPH-OAHLLOKOSA-N 2 2 354.458 2.508 20 30 FFEDLP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)cc3C#N)(C1)CCC2 ZINC001278867704 1041354226 /nfs/dbraw/zinc/35/42/26/1041354226.db2.gz ZFLZQPPINVQVOC-UXHICEINSA-N 2 2 374.916 2.824 20 30 FFEDLP C=CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c1O ZINC001279604794 1043328752 /nfs/dbraw/zinc/32/87/52/1043328752.db2.gz REXPPMREBQPKFL-BGYRXZFFSA-N 2 2 352.482 2.666 20 30 FFEDLP C=CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c1O ZINC001279604794 1043328761 /nfs/dbraw/zinc/32/87/61/1043328761.db2.gz REXPPMREBQPKFL-BGYRXZFFSA-N 2 2 352.482 2.666 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001342225565 1050815715 /nfs/dbraw/zinc/81/57/15/1050815715.db2.gz QMMYDGYFHYGOND-SQNIBIBYSA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001342225565 1050815721 /nfs/dbraw/zinc/81/57/21/1050815721.db2.gz QMMYDGYFHYGOND-SQNIBIBYSA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001342225565 1050815729 /nfs/dbraw/zinc/81/57/29/1050815729.db2.gz QMMYDGYFHYGOND-SQNIBIBYSA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001342225565 1050815741 /nfs/dbraw/zinc/81/57/41/1050815741.db2.gz QMMYDGYFHYGOND-SQNIBIBYSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1OCC ZINC001316686929 1051161255 /nfs/dbraw/zinc/16/12/55/1051161255.db2.gz ANYYZCIKNQEETO-RTBURBONSA-N 2 2 370.497 2.676 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001351656699 1054942114 /nfs/dbraw/zinc/94/21/14/1054942114.db2.gz KNKGUMJRCDAVOQ-ROUUACIJSA-N 2 2 360.550 2.617 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001351656699 1054942127 /nfs/dbraw/zinc/94/21/27/1054942127.db2.gz KNKGUMJRCDAVOQ-ROUUACIJSA-N 2 2 360.550 2.617 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001355930546 1060739377 /nfs/dbraw/zinc/73/93/77/1060739377.db2.gz YURSMPYOCJEISN-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001355930546 1060739385 /nfs/dbraw/zinc/73/93/85/1060739385.db2.gz YURSMPYOCJEISN-GOSISDBHSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001355967632 1060769214 /nfs/dbraw/zinc/76/92/14/1060769214.db2.gz LPRTUWZOXYKDKH-SFHVURJKSA-N 2 2 360.550 2.618 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001355967632 1060769227 /nfs/dbraw/zinc/76/92/27/1060769227.db2.gz LPRTUWZOXYKDKH-SFHVURJKSA-N 2 2 360.550 2.618 20 30 FFEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC001560234992 1076253792 /nfs/dbraw/zinc/25/37/92/1076253792.db2.gz WDXWSSIQUBINQR-MSOLQXFVSA-N 2 2 374.529 2.889 20 30 FFEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC001560234992 1076253795 /nfs/dbraw/zinc/25/37/95/1076253795.db2.gz WDXWSSIQUBINQR-MSOLQXFVSA-N 2 2 374.529 2.889 20 30 FFEDLP COc1ncccc1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290225879 257321220 /nfs/dbraw/zinc/32/12/20/257321220.db2.gz RGGAYPWWOIPYEY-UHFFFAOYSA-N 2 2 350.466 2.759 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000042535270 506633339 /nfs/dbraw/zinc/63/33/39/506633339.db2.gz HKODNABZCAWGIX-SFHVURJKSA-N 2 2 371.529 2.620 20 30 FFEDLP C=CCOc1ccccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000078909720 507916012 /nfs/dbraw/zinc/91/60/12/507916012.db2.gz WZVLWHXHEUIXKS-OAQYLSRUSA-N 2 2 352.478 2.760 20 30 FFEDLP C=CCOc1ccccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000078909720 507916016 /nfs/dbraw/zinc/91/60/16/507916016.db2.gz WZVLWHXHEUIXKS-OAQYLSRUSA-N 2 2 352.478 2.760 20 30 FFEDLP C=CC[C@@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000373515472 512372263 /nfs/dbraw/zinc/37/22/63/512372263.db2.gz YRRMLXPHZWBCRD-WIYYLYMNSA-N 2 2 355.526 2.973 20 30 FFEDLP C=CC[C@@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000373515472 512372268 /nfs/dbraw/zinc/37/22/68/512372268.db2.gz YRRMLXPHZWBCRD-WIYYLYMNSA-N 2 2 355.526 2.973 20 30 FFEDLP C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369370334 512376554 /nfs/dbraw/zinc/37/65/54/512376554.db2.gz OFAVSBNRDTYSAY-FQEVSTJZSA-N 2 2 370.541 2.595 20 30 FFEDLP C=CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369370334 512376558 /nfs/dbraw/zinc/37/65/58/512376558.db2.gz OFAVSBNRDTYSAY-FQEVSTJZSA-N 2 2 370.541 2.595 20 30 FFEDLP C[N@H+](CCOc1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080987680 508122461 /nfs/dbraw/zinc/12/24/61/508122461.db2.gz MPWDJLAVNJFPDK-UHFFFAOYSA-N 2 2 364.493 2.971 20 30 FFEDLP C[N@@H+](CCOc1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080987680 508122464 /nfs/dbraw/zinc/12/24/64/508122464.db2.gz MPWDJLAVNJFPDK-UHFFFAOYSA-N 2 2 364.493 2.971 20 30 FFEDLP C=CCc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc(OC)c1O ZINC000093147209 508124818 /nfs/dbraw/zinc/12/48/18/508124818.db2.gz QTVDWWWFGWGNMY-FQEVSTJZSA-N 2 2 373.541 2.731 20 30 FFEDLP C=CCc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc(OC)c1O ZINC000093147209 508124820 /nfs/dbraw/zinc/12/48/20/508124820.db2.gz QTVDWWWFGWGNMY-FQEVSTJZSA-N 2 2 373.541 2.731 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](CCC#N)CC2CC2)CC1 ZINC000081514629 508184901 /nfs/dbraw/zinc/18/49/01/508184901.db2.gz KORGCZNFGROWQF-UHFFFAOYSA-N 2 2 368.525 2.701 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CCC#N)CC2CC2)CC1 ZINC000081514629 508184904 /nfs/dbraw/zinc/18/49/04/508184904.db2.gz KORGCZNFGROWQF-UHFFFAOYSA-N 2 2 368.525 2.701 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478064 508320267 /nfs/dbraw/zinc/32/02/67/508320267.db2.gz TXWQVQIPHBUCDP-RTBURBONSA-N 2 2 356.514 2.822 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)c1 ZINC000114478064 508320270 /nfs/dbraw/zinc/32/02/70/508320270.db2.gz TXWQVQIPHBUCDP-RTBURBONSA-N 2 2 356.514 2.822 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C(N)=O)cc1 ZINC000115595899 508415760 /nfs/dbraw/zinc/41/57/60/508415760.db2.gz ASXDHZOVMTWPKM-NRFANRHFSA-N 2 2 362.477 2.860 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000152995537 508538128 /nfs/dbraw/zinc/53/81/28/508538128.db2.gz LCLAISFFSXUWJN-CQSZACIVSA-N 2 2 354.491 2.920 20 30 FFEDLP CCc1nc(CCNC(=[NH+]C)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cs1 ZINC000160072429 508934424 /nfs/dbraw/zinc/93/44/24/508934424.db2.gz WBSQPIDRANNUNV-GOEBONIOSA-N 2 2 360.531 2.603 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000164052367 509458866 /nfs/dbraw/zinc/45/88/66/509458866.db2.gz HLZPCBDQPPYFHD-HXUWFJFHSA-N 2 2 367.493 2.680 20 30 FFEDLP COCc1noc([C@H](C)O[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000182918231 509494334 /nfs/dbraw/zinc/49/43/34/509494334.db2.gz DZNKRDXQCGUHGV-AWEZNQCLSA-N 2 2 373.457 2.600 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(Nc3nc(C(F)(F)F)ccc3C#N)CC2)CC1 ZINC000265191672 509911463 /nfs/dbraw/zinc/91/14/63/509911463.db2.gz LAJSICGNSPEOMP-UHFFFAOYSA-N 2 2 367.419 2.943 20 30 FFEDLP CC[NH+]=C(NCCc1csc(C)n1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261931716 510120360 /nfs/dbraw/zinc/12/03/60/510120360.db2.gz BOCALNDGSCFATM-PBHICJAKSA-N 2 2 360.531 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246156109 510325566 /nfs/dbraw/zinc/32/55/66/510325566.db2.gz GXCYXWUQWSRXRP-MSOLQXFVSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246156109 510325573 /nfs/dbraw/zinc/32/55/73/510325573.db2.gz GXCYXWUQWSRXRP-MSOLQXFVSA-N 2 2 372.488 2.879 20 30 FFEDLP CCn1cc[nH+]c1CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000263075208 510548011 /nfs/dbraw/zinc/54/80/11/510548011.db2.gz CHDZVJQJKGBUNL-GOSISDBHSA-N 2 2 363.465 2.559 20 30 FFEDLP Cc1nccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000330153221 510926185 /nfs/dbraw/zinc/92/61/85/510926185.db2.gz MOMLNDSTIRXSCG-QZTJIDSGSA-N 2 2 374.533 2.600 20 30 FFEDLP Cc1nccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000330153221 510926189 /nfs/dbraw/zinc/92/61/89/510926189.db2.gz MOMLNDSTIRXSCG-QZTJIDSGSA-N 2 2 374.533 2.600 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277218272 510956876 /nfs/dbraw/zinc/95/68/76/510956876.db2.gz NSRKCZGCWVEAIY-LJQANCHMSA-N 2 2 356.514 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277218272 510956880 /nfs/dbraw/zinc/95/68/80/510956880.db2.gz NSRKCZGCWVEAIY-LJQANCHMSA-N 2 2 356.514 2.966 20 30 FFEDLP C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[N@@H+]1C1CC1 ZINC000278602469 511000401 /nfs/dbraw/zinc/00/04/01/511000401.db2.gz IALXCQRTEZHTKM-YJBOKZPZSA-N 2 2 350.470 2.574 20 30 FFEDLP C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[N@H+]1C1CC1 ZINC000278602469 511000405 /nfs/dbraw/zinc/00/04/05/511000405.db2.gz IALXCQRTEZHTKM-YJBOKZPZSA-N 2 2 350.470 2.574 20 30 FFEDLP C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[N@@H+]1C1CC1 ZINC000278602454 511000805 /nfs/dbraw/zinc/00/08/05/511000805.db2.gz IALXCQRTEZHTKM-MAUKXSAKSA-N 2 2 350.470 2.574 20 30 FFEDLP C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[N@H+]1C1CC1 ZINC000278602454 511000811 /nfs/dbraw/zinc/00/08/11/511000811.db2.gz IALXCQRTEZHTKM-MAUKXSAKSA-N 2 2 350.470 2.574 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278750777 511005752 /nfs/dbraw/zinc/00/57/52/511005752.db2.gz WIBOYSOONMJBRN-UHFFFAOYSA-N 2 2 350.470 2.599 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292879504 511755700 /nfs/dbraw/zinc/75/57/00/511755700.db2.gz DWKYJUMBIVYGCB-NQIIRXRSSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292879504 511755707 /nfs/dbraw/zinc/75/57/07/511755707.db2.gz DWKYJUMBIVYGCB-NQIIRXRSSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292879504 511755713 /nfs/dbraw/zinc/75/57/13/511755713.db2.gz DWKYJUMBIVYGCB-NQIIRXRSSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292879504 511755720 /nfs/dbraw/zinc/75/57/20/511755720.db2.gz DWKYJUMBIVYGCB-NQIIRXRSSA-N 2 2 354.498 2.739 20 30 FFEDLP Cc1nc(C)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000328610547 511892024 /nfs/dbraw/zinc/89/20/24/511892024.db2.gz NTOIPGIZYXHUEZ-UHFFFAOYSA-N 2 2 351.520 2.644 20 30 FFEDLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328660070 511910883 /nfs/dbraw/zinc/91/08/83/511910883.db2.gz URZXXFPVVTZWFJ-NUJGCVRESA-N 2 2 360.502 2.923 20 30 FFEDLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328660070 511910888 /nfs/dbraw/zinc/91/08/88/511910888.db2.gz URZXXFPVVTZWFJ-NUJGCVRESA-N 2 2 360.502 2.923 20 30 FFEDLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000328746376 511926123 /nfs/dbraw/zinc/92/61/23/511926123.db2.gz PTIGCGVPQWEMJA-KRWDZBQOSA-N 2 2 357.502 2.525 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328801408 511934296 /nfs/dbraw/zinc/93/42/96/511934296.db2.gz ZHEDCEUKVRFICD-OHWJTAOLSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328801408 511934297 /nfs/dbraw/zinc/93/42/97/511934297.db2.gz ZHEDCEUKVRFICD-OHWJTAOLSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000328801408 511934300 /nfs/dbraw/zinc/93/43/00/511934300.db2.gz ZHEDCEUKVRFICD-OHWJTAOLSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328801408 511934304 /nfs/dbraw/zinc/93/43/04/511934304.db2.gz ZHEDCEUKVRFICD-OHWJTAOLSA-N 2 2 360.546 2.723 20 30 FFEDLP C[NH+]1CCC(CNC(=O)c2ccc3c[nH+]cn3c2)([NH+]2CCCCC2)CC1 ZINC000328812412 511934722 /nfs/dbraw/zinc/93/47/22/511934722.db2.gz MZVDNGCNEFOMQX-UHFFFAOYSA-N 3 2 355.486 2.589 20 30 FFEDLP COc1cc(C)[nH+]c(CN2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)c1 ZINC000328880801 511944854 /nfs/dbraw/zinc/94/48/54/511944854.db2.gz WCWSIPHEZJILLX-INIZCTEOSA-N 2 2 360.502 2.804 20 30 FFEDLP C[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@@H]1[NH+](C)C ZINC000329769071 512095104 /nfs/dbraw/zinc/09/51/04/512095104.db2.gz HITXYSSKZRTKJZ-ZFWWWQNUSA-N 2 2 351.520 2.556 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H](CC#N)c3ccccc3)CC2)CC1 ZINC000375693441 512458359 /nfs/dbraw/zinc/45/83/59/512458359.db2.gz PVYSXCBVOJLDPL-IBGZPJMESA-N 2 2 368.525 2.749 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H](CC#N)c3ccccc3)CC2)CC1 ZINC000375693443 512458725 /nfs/dbraw/zinc/45/87/25/512458725.db2.gz PVYSXCBVOJLDPL-LJQANCHMSA-N 2 2 368.525 2.749 20 30 FFEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)[nH+]1 ZINC000369900815 512672632 /nfs/dbraw/zinc/67/26/32/512672632.db2.gz QRURUXLZWGYCIU-OAHLLOKOSA-N 2 2 355.467 2.838 20 30 FFEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)[nH+]1 ZINC000369900815 512672637 /nfs/dbraw/zinc/67/26/37/512672637.db2.gz QRURUXLZWGYCIU-OAHLLOKOSA-N 2 2 355.467 2.838 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540453 513819442 /nfs/dbraw/zinc/81/94/42/513819442.db2.gz WWEACOMQLHZQEJ-RXVVDRJESA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540453 513819447 /nfs/dbraw/zinc/81/94/47/513819447.db2.gz WWEACOMQLHZQEJ-RXVVDRJESA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540453 513819455 /nfs/dbraw/zinc/81/94/55/513819455.db2.gz WWEACOMQLHZQEJ-RXVVDRJESA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540453 513819461 /nfs/dbraw/zinc/81/94/61/513819461.db2.gz WWEACOMQLHZQEJ-RXVVDRJESA-N 2 2 368.525 2.885 20 30 FFEDLP C=CCNC(=O)C[NH+]1CCN(c2cc(CCC)[nH+]c3ccccc32)CC1 ZINC000443668518 514019530 /nfs/dbraw/zinc/01/95/30/514019530.db2.gz UKTUCKVCDHMMPO-UHFFFAOYSA-N 2 2 352.482 2.612 20 30 FFEDLP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420309071 514084893 /nfs/dbraw/zinc/08/48/93/514084893.db2.gz SWQKXQCPNIVION-PMACEKPBSA-N 2 2 355.438 2.514 20 30 FFEDLP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420309071 514084899 /nfs/dbraw/zinc/08/48/99/514084899.db2.gz SWQKXQCPNIVION-PMACEKPBSA-N 2 2 355.438 2.514 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475740454 514789432 /nfs/dbraw/zinc/78/94/32/514789432.db2.gz QPLUQFMHLFSQQU-QFIPXVFZSA-N 2 2 368.525 2.737 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475740454 514789439 /nfs/dbraw/zinc/78/94/39/514789439.db2.gz QPLUQFMHLFSQQU-QFIPXVFZSA-N 2 2 368.525 2.737 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475740454 514789444 /nfs/dbraw/zinc/78/94/44/514789444.db2.gz QPLUQFMHLFSQQU-QFIPXVFZSA-N 2 2 368.525 2.737 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475740454 514789454 /nfs/dbraw/zinc/78/94/54/514789454.db2.gz QPLUQFMHLFSQQU-QFIPXVFZSA-N 2 2 368.525 2.737 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472501056 515295121 /nfs/dbraw/zinc/29/51/21/515295121.db2.gz MQHRGUBQXOIGJH-RIMHVDHWSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472501056 515295125 /nfs/dbraw/zinc/29/51/25/515295125.db2.gz MQHRGUBQXOIGJH-RIMHVDHWSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472501056 515295134 /nfs/dbraw/zinc/29/51/34/515295134.db2.gz MQHRGUBQXOIGJH-RIMHVDHWSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472501056 515295140 /nfs/dbraw/zinc/29/51/40/515295140.db2.gz MQHRGUBQXOIGJH-RIMHVDHWSA-N 2 2 374.573 2.969 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479067140 516044553 /nfs/dbraw/zinc/04/45/53/516044553.db2.gz LSQXOQOKNLOVKW-INIZCTEOSA-N 2 2 365.543 2.642 20 30 FFEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000470014245 516080733 /nfs/dbraw/zinc/08/07/33/516080733.db2.gz XBZSFOHTOMUSCF-GFCCVEGCSA-N 2 2 355.276 2.803 20 30 FFEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000470014245 516080744 /nfs/dbraw/zinc/08/07/44/516080744.db2.gz XBZSFOHTOMUSCF-GFCCVEGCSA-N 2 2 355.276 2.803 20 30 FFEDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(C#N)cc1F ZINC000512281883 516223708 /nfs/dbraw/zinc/22/37/08/516223708.db2.gz KNZMDWQFCJOOCV-HNNXBMFYSA-N 2 2 353.445 2.695 20 30 FFEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512610808 516313005 /nfs/dbraw/zinc/31/30/05/516313005.db2.gz FCIAPIQLRHYHOH-IERDGZPVSA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512610808 516313006 /nfs/dbraw/zinc/31/30/06/516313006.db2.gz FCIAPIQLRHYHOH-IERDGZPVSA-N 2 2 353.441 2.985 20 30 FFEDLP Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1Oc1cc[nH+]cc1 ZINC000523742878 516565348 /nfs/dbraw/zinc/56/53/48/516565348.db2.gz WKNNSYGGIIJEBC-UHFFFAOYSA-N 2 2 350.422 2.900 20 30 FFEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000561945629 516844061 /nfs/dbraw/zinc/84/40/61/516844061.db2.gz XBBKLFXXCQQCKC-UHFFFAOYSA-N 2 2 350.466 2.557 20 30 FFEDLP C=C(C)Cn1c(C2CC2)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000555264729 516854864 /nfs/dbraw/zinc/85/48/64/516854864.db2.gz VZOJOLGBEZISLK-UHFFFAOYSA-N 2 2 372.561 2.726 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000544678618 516869647 /nfs/dbraw/zinc/86/96/47/516869647.db2.gz FEVAFKDJYQBUHF-UHFFFAOYSA-N 2 2 362.481 2.661 20 30 FFEDLP C=CC[N@@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CC1 ZINC000536742842 516918254 /nfs/dbraw/zinc/91/82/54/516918254.db2.gz BSBVYOWLTFVTBV-NRFANRHFSA-N 2 2 371.525 2.989 20 30 FFEDLP C=CC[N@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CC1 ZINC000536742842 516918260 /nfs/dbraw/zinc/91/82/60/516918260.db2.gz BSBVYOWLTFVTBV-NRFANRHFSA-N 2 2 371.525 2.989 20 30 FFEDLP Cc1ccc([C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[NH+]2CCCC2)cc1 ZINC000556205974 517316251 /nfs/dbraw/zinc/31/62/51/517316251.db2.gz IYRFBTSMKNEKIP-FQEVSTJZSA-N 2 2 360.465 2.836 20 30 FFEDLP C=CCc1cc(OC)cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1O ZINC000530105541 517568975 /nfs/dbraw/zinc/56/89/75/517568975.db2.gz SAKJOVLUGFEMHW-UHFFFAOYSA-N 2 2 360.498 2.816 20 30 FFEDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539608621 518119484 /nfs/dbraw/zinc/11/94/84/518119484.db2.gz VGJKJJQQGCKUMJ-QGZVFWFLSA-N 3 2 367.472 2.955 20 30 FFEDLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccc(F)cc1 ZINC000564320232 518396972 /nfs/dbraw/zinc/39/69/72/518396972.db2.gz YBNGSTUWYOJACL-UHFFFAOYSA-N 2 2 351.429 2.909 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Nc2cccc(CC#N)c2)([NH+]2CCCCC2)CC1 ZINC000576116765 518437165 /nfs/dbraw/zinc/43/71/65/518437165.db2.gz OKNFPVLQJUEALH-UHFFFAOYSA-N 2 2 369.513 2.824 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000576491338 518619401 /nfs/dbraw/zinc/61/94/01/518619401.db2.gz YDESUVLNQSCWNU-FUHWJXTLSA-N 2 2 367.497 2.817 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000566036254 519256951 /nfs/dbraw/zinc/25/69/51/519256951.db2.gz ZGAPRZZADQLMNI-UHFFFAOYSA-N 2 2 352.482 2.781 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000590855229 519405532 /nfs/dbraw/zinc/40/55/32/519405532.db2.gz KQDZJTJJQZFQJT-RBUKOAKNSA-N 2 2 359.518 2.928 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Nc4cccc[nH+]4)CC3)C2=O)cc1 ZINC000591021693 519481856 /nfs/dbraw/zinc/48/18/56/519481856.db2.gz CFWXHGQEGKWGMN-IBGZPJMESA-N 2 2 361.449 2.635 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000591539583 519942809 /nfs/dbraw/zinc/94/28/09/519942809.db2.gz PHHABLJHBGDWRF-UHFFFAOYSA-N 2 2 374.916 2.844 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC000591539583 519942817 /nfs/dbraw/zinc/94/28/17/519942817.db2.gz PHHABLJHBGDWRF-UHFFFAOYSA-N 2 2 374.916 2.844 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594441402 519967143 /nfs/dbraw/zinc/96/71/43/519967143.db2.gz RMYMCBHOVCFJGW-SOLBZPMBSA-N 2 2 358.486 2.646 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594441402 519967152 /nfs/dbraw/zinc/96/71/52/519967152.db2.gz RMYMCBHOVCFJGW-SOLBZPMBSA-N 2 2 358.486 2.646 20 30 FFEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000594965197 520233133 /nfs/dbraw/zinc/23/31/33/520233133.db2.gz RMLJAWXGOHUDCL-SFHVURJKSA-N 2 2 352.486 2.821 20 30 FFEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000594965197 520233139 /nfs/dbraw/zinc/23/31/39/520233139.db2.gz RMLJAWXGOHUDCL-SFHVURJKSA-N 2 2 352.486 2.821 20 30 FFEDLP CCc1ccc([C@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)[NH+](C)C)cc1 ZINC000600716509 520417683 /nfs/dbraw/zinc/41/76/83/520417683.db2.gz YFBMDYWSWDJKFX-RTWAWAEBSA-N 2 2 367.493 2.753 20 30 FFEDLP CC(C)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[NH+]1CCCCCC1 ZINC000600719142 520420835 /nfs/dbraw/zinc/42/08/35/520420835.db2.gz BZBAPGNJMSYZLO-MOPGFXCFSA-N 2 2 351.535 2.548 20 30 FFEDLP CC(C)[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[NH+]1CCCCCC1 ZINC000600719145 520420930 /nfs/dbraw/zinc/42/09/30/520420930.db2.gz BZBAPGNJMSYZLO-RTBURBONSA-N 2 2 351.535 2.548 20 30 FFEDLP C=CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207945 520489019 /nfs/dbraw/zinc/48/90/19/520489019.db2.gz BFCGKMUAUWDAQX-IBGZPJMESA-N 2 2 362.562 2.933 20 30 FFEDLP C=CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207945 520489028 /nfs/dbraw/zinc/48/90/28/520489028.db2.gz BFCGKMUAUWDAQX-IBGZPJMESA-N 2 2 362.562 2.933 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595509168 520518872 /nfs/dbraw/zinc/51/88/72/520518872.db2.gz CXEWXWCBZYLOLV-NRFANRHFSA-N 2 2 365.477 2.552 20 30 FFEDLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592747272 520554735 /nfs/dbraw/zinc/55/47/35/520554735.db2.gz UBPFCPXNYNMYAB-QGZVFWFLSA-N 2 2 365.481 2.613 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610944873 520913236 /nfs/dbraw/zinc/91/32/36/520913236.db2.gz GDJVXUNVLKPDBI-UONOGXRCSA-N 2 2 369.494 2.969 20 30 FFEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610944873 520913237 /nfs/dbraw/zinc/91/32/37/520913237.db2.gz GDJVXUNVLKPDBI-UONOGXRCSA-N 2 2 369.494 2.969 20 30 FFEDLP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701607 521166052 /nfs/dbraw/zinc/16/60/52/521166052.db2.gz GZNWNYXNKZRMNV-KRWDZBQOSA-N 2 2 356.514 2.759 20 30 FFEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1cc(F)ccc1F ZINC000262331847 729663869 /nfs/dbraw/zinc/66/38/69/729663869.db2.gz YJBDNQUZHIPWHQ-UHFFFAOYSA-N 2 2 352.429 2.727 20 30 FFEDLP CC[C@@H](C)NC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000262363783 729664393 /nfs/dbraw/zinc/66/43/93/729664393.db2.gz JRNNTVNSJVQKII-LLVKDONJSA-N 2 2 352.280 2.651 20 30 FFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000303888906 729735593 /nfs/dbraw/zinc/73/55/93/729735593.db2.gz LQFQDFWCMQQVGD-IAGOWNOFSA-N 3 2 351.564 2.520 20 30 FFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000303888906 729735596 /nfs/dbraw/zinc/73/55/96/729735596.db2.gz LQFQDFWCMQQVGD-IAGOWNOFSA-N 3 2 351.564 2.520 20 30 FFEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876725256 732272875 /nfs/dbraw/zinc/27/28/75/732272875.db2.gz HKGWMJKYEMIOAT-IJEWVQPXSA-N 2 2 351.878 2.704 20 30 FFEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876725256 732272882 /nfs/dbraw/zinc/27/28/82/732272882.db2.gz HKGWMJKYEMIOAT-IJEWVQPXSA-N 2 2 351.878 2.704 20 30 FFEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000876769501 732279389 /nfs/dbraw/zinc/27/93/89/732279389.db2.gz ZIDBCDHOAPYCFX-MRXNPFEDSA-N 2 2 350.894 2.616 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088018871 971879793 /nfs/dbraw/zinc/87/97/93/971879793.db2.gz OHPKPCMOYGJRTR-KSZLIROESA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]2C1 ZINC001088018871 971879800 /nfs/dbraw/zinc/87/98/00/971879800.db2.gz OHPKPCMOYGJRTR-KSZLIROESA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]2C1 ZINC001088018871 971879805 /nfs/dbraw/zinc/87/98/05/971879805.db2.gz OHPKPCMOYGJRTR-KSZLIROESA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]2C1 ZINC001088018871 971879811 /nfs/dbraw/zinc/87/98/11/971879811.db2.gz OHPKPCMOYGJRTR-KSZLIROESA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001088056452 972040753 /nfs/dbraw/zinc/04/07/53/972040753.db2.gz YLORKOXIAKWCJD-MOPGFXCFSA-N 2 2 350.466 2.842 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001088056452 972040763 /nfs/dbraw/zinc/04/07/63/972040763.db2.gz YLORKOXIAKWCJD-MOPGFXCFSA-N 2 2 350.466 2.842 20 30 FFEDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccc(C#N)c3)CC2)cc1 ZINC000011095020 1013348365 /nfs/dbraw/zinc/34/83/65/1013348365.db2.gz HRVXMLKKMSKGFY-UHFFFAOYSA-N 2 2 364.493 2.869 20 30 FFEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001087465750 964381743 /nfs/dbraw/zinc/38/17/43/964381743.db2.gz HEGAKCAJJKEUIO-AQNXPRMDSA-N 2 2 359.489 2.770 20 30 FFEDLP C=CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001087465750 964381751 /nfs/dbraw/zinc/38/17/51/964381751.db2.gz HEGAKCAJJKEUIO-AQNXPRMDSA-N 2 2 359.489 2.770 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087465750 964381768 /nfs/dbraw/zinc/38/17/68/964381768.db2.gz HEGAKCAJJKEUIO-AQNXPRMDSA-N 2 2 359.489 2.770 20 30 FFEDLP CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C12CCC2 ZINC000261997411 965182202 /nfs/dbraw/zinc/18/22/02/965182202.db2.gz STEAEKQCZQUGTL-XLAORIBOSA-N 2 2 359.518 2.689 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087469068 965288751 /nfs/dbraw/zinc/28/87/51/965288751.db2.gz HYHABXHGFXODLM-WOJBJXKFSA-N 2 2 370.472 2.652 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087469068 965288763 /nfs/dbraw/zinc/28/87/63/965288763.db2.gz HYHABXHGFXODLM-WOJBJXKFSA-N 2 2 370.472 2.652 20 30 FFEDLP C=CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087474932 965567017 /nfs/dbraw/zinc/56/70/17/965567017.db2.gz GXWWCZXHLKOKIX-ACRUOGEOSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001087474932 965567028 /nfs/dbraw/zinc/56/70/28/965567028.db2.gz GXWWCZXHLKOKIX-ACRUOGEOSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001087474932 965567037 /nfs/dbraw/zinc/56/70/37/965567037.db2.gz GXWWCZXHLKOKIX-ACRUOGEOSA-N 2 2 371.525 2.640 20 30 FFEDLP C=CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001087474932 965567048 /nfs/dbraw/zinc/56/70/48/965567048.db2.gz GXWWCZXHLKOKIX-ACRUOGEOSA-N 2 2 371.525 2.640 20 30 FFEDLP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023374704 967758197 /nfs/dbraw/zinc/75/81/97/967758197.db2.gz XVMCCGVSSFMZJW-CEXWTWQISA-N 2 2 356.514 2.558 20 30 FFEDLP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023374704 967758203 /nfs/dbraw/zinc/75/82/03/967758203.db2.gz XVMCCGVSSFMZJW-CEXWTWQISA-N 2 2 356.514 2.558 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087442714 977533186 /nfs/dbraw/zinc/53/31/86/977533186.db2.gz WRERLUBEXPBJBH-UYAOXDASSA-N 2 2 352.482 2.811 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087442714 977533190 /nfs/dbraw/zinc/53/31/90/977533190.db2.gz WRERLUBEXPBJBH-UYAOXDASSA-N 2 2 352.482 2.811 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001076097522 979112486 /nfs/dbraw/zinc/11/24/86/979112486.db2.gz MZUPDLLRZVKQOJ-AZUAARDMSA-N 2 2 350.466 2.985 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001076097522 979112489 /nfs/dbraw/zinc/11/24/89/979112489.db2.gz MZUPDLLRZVKQOJ-AZUAARDMSA-N 2 2 350.466 2.985 20 30 FFEDLP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001105427550 979691871 /nfs/dbraw/zinc/69/18/71/979691871.db2.gz SBKWTODIRUMDOU-IKVWTGGYSA-N 2 2 350.466 2.505 20 30 FFEDLP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001105427550 979691873 /nfs/dbraw/zinc/69/18/73/979691873.db2.gz SBKWTODIRUMDOU-IKVWTGGYSA-N 2 2 350.466 2.505 20 30 FFEDLP N#C[C@H]1C[NH2+]CC12CC(c1nc(-c3cccc(Cn4cc[nH+]c4)c3)no1)C2 ZINC000904088210 980181651 /nfs/dbraw/zinc/18/16/51/980181651.db2.gz PYLKKPVHMDUXJO-GNZRSQJKSA-N 2 2 360.421 2.588 20 30 FFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000083031509 982778433 /nfs/dbraw/zinc/77/84/33/982778433.db2.gz IVMGZBAWRPPCDO-QZTJIDSGSA-N 2 2 356.445 2.857 20 30 FFEDLP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000997094092 985118274 /nfs/dbraw/zinc/11/82/74/985118274.db2.gz PYIWDXNKSMWQKH-QWFCFKBJSA-N 2 2 370.541 2.947 20 30 FFEDLP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213367 989968129 /nfs/dbraw/zinc/96/81/29/989968129.db2.gz UCQLCVCXPQJYQZ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001034213367 989968136 /nfs/dbraw/zinc/96/81/36/989968136.db2.gz UCQLCVCXPQJYQZ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1c1ccccc1F ZINC001079310809 992011234 /nfs/dbraw/zinc/01/12/34/992011234.db2.gz LBUNFNJWJBSIRD-TXPKVOOTSA-N 2 2 368.456 2.739 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079701039 992340400 /nfs/dbraw/zinc/34/04/00/992340400.db2.gz UBDLLMQYLQVWFA-QGPMSJSTSA-N 2 2 353.938 2.830 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079701039 992340408 /nfs/dbraw/zinc/34/04/08/992340408.db2.gz UBDLLMQYLQVWFA-QGPMSJSTSA-N 2 2 353.938 2.830 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079701039 992340417 /nfs/dbraw/zinc/34/04/17/992340417.db2.gz UBDLLMQYLQVWFA-QGPMSJSTSA-N 2 2 353.938 2.830 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079701039 992340427 /nfs/dbraw/zinc/34/04/27/992340427.db2.gz UBDLLMQYLQVWFA-QGPMSJSTSA-N 2 2 353.938 2.830 20 30 FFEDLP C[NH+](C)Cc1cnc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000809543152 994536759 /nfs/dbraw/zinc/53/67/59/994536759.db2.gz OSXYHFPAJDHCQL-UHFFFAOYSA-N 2 2 369.538 2.784 20 30 FFEDLP C[NH+](C)Cc1cnc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000809543152 994536769 /nfs/dbraw/zinc/53/67/69/994536769.db2.gz OSXYHFPAJDHCQL-UHFFFAOYSA-N 2 2 369.538 2.784 20 30 FFEDLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082593598 995013105 /nfs/dbraw/zinc/01/31/05/995013105.db2.gz RSUCUHCOJQKNAT-JLTOFOAXSA-N 2 2 359.433 2.685 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001086699205 995280154 /nfs/dbraw/zinc/28/01/54/995280154.db2.gz ZEHBFXUSKDRHKS-FCGDIQPGSA-N 2 2 356.514 2.605 20 30 FFEDLP COC(=O)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000813332493 995667227 /nfs/dbraw/zinc/66/72/27/995667227.db2.gz BAHHUXBNYSSTDG-IBGZPJMESA-N 2 2 357.498 2.948 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]21 ZINC001084943267 998238597 /nfs/dbraw/zinc/23/85/97/998238597.db2.gz QVIFZDRODXWANW-WTGUMLROSA-N 2 2 368.525 2.653 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]21 ZINC001084943267 998238611 /nfs/dbraw/zinc/23/86/11/998238611.db2.gz QVIFZDRODXWANW-WTGUMLROSA-N 2 2 368.525 2.653 20 30 FFEDLP C#CCOc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cc1 ZINC000772963932 1000573231 /nfs/dbraw/zinc/57/32/31/1000573231.db2.gz KGLNBEYWDPITQX-LJQANCHMSA-N 2 2 350.466 2.846 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091713477 1001129451 /nfs/dbraw/zinc/12/94/51/1001129451.db2.gz ZNZJZXINGAREFD-QAPCUYQASA-N 2 2 367.946 2.956 20 30 FFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3nc4ccccc4c(=O)[nH]3)cc2)CC1 ZINC000771557610 1001148541 /nfs/dbraw/zinc/14/85/41/1001148541.db2.gz GZAPDJVOQCCQPT-UHFFFAOYSA-N 2 2 362.437 2.533 20 30 FFEDLP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171360486 1001361120 /nfs/dbraw/zinc/36/11/20/1001361120.db2.gz ZWCCGECPRNGTIV-BFHYXJOUSA-N 2 2 369.307 2.686 20 30 FFEDLP C=C(Br)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171360486 1001361126 /nfs/dbraw/zinc/36/11/26/1001361126.db2.gz ZWCCGECPRNGTIV-BFHYXJOUSA-N 2 2 369.307 2.686 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001197427883 1004219646 /nfs/dbraw/zinc/21/96/46/1004219646.db2.gz GGVKBNJHSTUEMG-WOJBJXKFSA-N 2 2 370.497 2.618 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001197427883 1004219650 /nfs/dbraw/zinc/21/96/50/1004219650.db2.gz GGVKBNJHSTUEMG-WOJBJXKFSA-N 2 2 370.497 2.618 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1c1ccccc1 ZINC001488889812 1005371604 /nfs/dbraw/zinc/37/16/04/1005371604.db2.gz MRTOTOCNINLVPR-BDTNDASRSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCC)C[C@H]1c1ccccc1 ZINC001488889812 1005371605 /nfs/dbraw/zinc/37/16/05/1005371605.db2.gz MRTOTOCNINLVPR-BDTNDASRSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@H]1c1ccccc1 ZINC001488889812 1005371608 /nfs/dbraw/zinc/37/16/08/1005371608.db2.gz MRTOTOCNINLVPR-BDTNDASRSA-N 2 2 367.537 2.858 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@H]1c1ccccc1 ZINC001488889812 1005371611 /nfs/dbraw/zinc/37/16/11/1005371611.db2.gz MRTOTOCNINLVPR-BDTNDASRSA-N 2 2 367.537 2.858 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187979224 1006349329 /nfs/dbraw/zinc/34/93/29/1006349329.db2.gz XFRUPZQYXGJWMP-ZIFCJYIRSA-N 2 2 356.514 2.649 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187979224 1006349340 /nfs/dbraw/zinc/34/93/40/1006349340.db2.gz XFRUPZQYXGJWMP-ZIFCJYIRSA-N 2 2 356.514 2.649 20 30 FFEDLP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856597589 1007908710 /nfs/dbraw/zinc/90/87/10/1007908710.db2.gz KVCKJRMXGBVMRA-FXAWDEMLSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856597589 1007908718 /nfs/dbraw/zinc/90/87/18/1007908718.db2.gz KVCKJRMXGBVMRA-FXAWDEMLSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856597589 1007908726 /nfs/dbraw/zinc/90/87/26/1007908726.db2.gz KVCKJRMXGBVMRA-FXAWDEMLSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856597589 1007908730 /nfs/dbraw/zinc/90/87/30/1007908730.db2.gz KVCKJRMXGBVMRA-FXAWDEMLSA-N 2 2 355.486 2.818 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001086844197 1008445890 /nfs/dbraw/zinc/44/58/90/1008445890.db2.gz WYPADDVUSXKAHB-LSDHHAIUSA-N 2 2 359.861 2.508 20 30 FFEDLP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001181499311 1010120292 /nfs/dbraw/zinc/12/02/92/1010120292.db2.gz ADLNOBFBPVIQJI-JPAWQOSXSA-N 2 2 370.541 2.804 20 30 FFEDLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001094167100 1010908801 /nfs/dbraw/zinc/90/88/01/1010908801.db2.gz WBLXWEHUAZPRPV-ZIAGYGMSSA-N 2 2 371.510 2.505 20 30 FFEDLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)c3ccc(C#N)cc3)c2)CC1 ZINC000870664888 1012518924 /nfs/dbraw/zinc/51/89/24/1012518924.db2.gz CGKRVTQMSZBDFW-UHFFFAOYSA-N 2 2 363.465 2.621 20 30 FFEDLP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001040855868 1018721726 /nfs/dbraw/zinc/72/17/26/1018721726.db2.gz ORUABNXCGHDHKX-QZTJIDSGSA-N 2 2 356.514 2.804 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@H]2C1 ZINC001217904364 1032899804 /nfs/dbraw/zinc/89/98/04/1032899804.db2.gz QRRZNURFOGROJW-AYOQOUSVSA-N 2 2 368.481 2.523 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)c3ccn4c(C)c[nH+]c4c3)[C@H]2C1 ZINC001217904364 1032899816 /nfs/dbraw/zinc/89/98/16/1032899816.db2.gz QRRZNURFOGROJW-AYOQOUSVSA-N 2 2 368.481 2.523 20 30 FFEDLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001098400819 1020875742 /nfs/dbraw/zinc/87/57/42/1020875742.db2.gz PSOPZYVJLWSMMY-AQNXPRMDSA-N 2 2 371.912 2.509 20 30 FFEDLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001098400819 1020875749 /nfs/dbraw/zinc/87/57/49/1020875749.db2.gz PSOPZYVJLWSMMY-AQNXPRMDSA-N 2 2 371.912 2.509 20 30 FFEDLP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000048782973 1022797725 /nfs/dbraw/zinc/79/77/25/1022797725.db2.gz UAHCUSDSOMUWDB-UHFFFAOYSA-N 2 2 363.505 2.736 20 30 FFEDLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413410 1025930552 /nfs/dbraw/zinc/93/05/52/1025930552.db2.gz FRZQDMVMHOEFEH-MBOZVWFJSA-N 2 2 365.481 2.590 20 30 FFEDLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413410 1025930567 /nfs/dbraw/zinc/93/05/67/1025930567.db2.gz FRZQDMVMHOEFEH-MBOZVWFJSA-N 2 2 365.481 2.590 20 30 FFEDLP C#CCOc1ccccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000092665655 1027395553 /nfs/dbraw/zinc/39/55/53/1027395553.db2.gz NTPNVGLVCMKTFS-PMACEKPBSA-N 2 2 355.526 2.689 20 30 FFEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001104208462 1028664503 /nfs/dbraw/zinc/66/45/03/1028664503.db2.gz ZOZDHPRVAUYEHZ-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001158256106 1029774145 /nfs/dbraw/zinc/77/41/45/1029774145.db2.gz DPVAWKCWDCMVKB-RTBURBONSA-N 2 2 358.530 2.996 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112198945 1030219021 /nfs/dbraw/zinc/21/90/21/1030219021.db2.gz DHUZIXKMSRFRAV-NJZAAPMLSA-N 2 2 358.408 2.594 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](CCOC)C3)cc1 ZINC001204300901 1031216237 /nfs/dbraw/zinc/21/62/37/1031216237.db2.gz LLCVFAZUTNIZAH-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](CCOC)C3)cc1 ZINC001204300901 1031216241 /nfs/dbraw/zinc/21/62/41/1031216241.db2.gz LLCVFAZUTNIZAH-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)cc1 ZINC001204300901 1031216243 /nfs/dbraw/zinc/21/62/43/1031216243.db2.gz LLCVFAZUTNIZAH-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)cc1 ZINC001204300901 1031216244 /nfs/dbraw/zinc/21/62/44/1031216244.db2.gz LLCVFAZUTNIZAH-QFIPXVFZSA-N 2 2 374.525 2.812 20 30 FFEDLP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001205321527 1031669637 /nfs/dbraw/zinc/66/96/37/1031669637.db2.gz CZVJHCHQEWYLGF-UYAOXDASSA-N 2 2 370.541 2.948 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205691802 1031941425 /nfs/dbraw/zinc/94/14/25/1031941425.db2.gz DZCLYPRVLDCFPE-PKOBYXMFSA-N 2 2 356.445 2.573 20 30 FFEDLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001235516300 1037601052 /nfs/dbraw/zinc/60/10/52/1037601052.db2.gz UNTZSTJORBJBBU-FQEVSTJZSA-N 2 2 369.509 2.992 20 30 FFEDLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3CC#N)CC2)C1 ZINC001235516300 1037601057 /nfs/dbraw/zinc/60/10/57/1037601057.db2.gz UNTZSTJORBJBBU-FQEVSTJZSA-N 2 2 369.509 2.992 20 30 FFEDLP N#Cc1ccc(C[C@@H]([NH3+])Cc2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)cc1 ZINC001248157434 1040151694 /nfs/dbraw/zinc/15/16/94/1040151694.db2.gz VWRSBUIMZIPQSZ-GOSISDBHSA-N 2 2 370.416 2.906 20 30 FFEDLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001264067604 1042611092 /nfs/dbraw/zinc/61/10/92/1042611092.db2.gz KOLWDMHASSGNJH-RBUKOAKNSA-N 2 2 360.477 2.508 20 30 FFEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001264067604 1042611094 /nfs/dbraw/zinc/61/10/94/1042611094.db2.gz KOLWDMHASSGNJH-RBUKOAKNSA-N 2 2 360.477 2.508 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001264067604 1042611095 /nfs/dbraw/zinc/61/10/95/1042611095.db2.gz KOLWDMHASSGNJH-RBUKOAKNSA-N 2 2 360.477 2.508 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CC ZINC001264067604 1042611097 /nfs/dbraw/zinc/61/10/97/1042611097.db2.gz KOLWDMHASSGNJH-RBUKOAKNSA-N 2 2 360.477 2.508 20 30 FFEDLP COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001244289111 1045124185 /nfs/dbraw/zinc/12/41/85/1045124185.db2.gz DLUGJHJTJJKWKA-BUVRLJJBSA-N 2 2 363.465 2.865 20 30 FFEDLP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001282306313 1045493564 /nfs/dbraw/zinc/49/35/64/1045493564.db2.gz HGNNVFCDKDXWBI-RTBURBONSA-N 2 2 364.493 2.639 20 30 FFEDLP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001282306313 1045493566 /nfs/dbraw/zinc/49/35/66/1045493566.db2.gz HGNNVFCDKDXWBI-RTBURBONSA-N 2 2 364.493 2.639 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001341748943 1050366365 /nfs/dbraw/zinc/36/63/65/1050366365.db2.gz APWSUKIBKDXZHX-SFHVURJKSA-N 2 2 358.534 2.515 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC001340422120 1050817527 /nfs/dbraw/zinc/81/75/27/1050817527.db2.gz OPFFPOUUFZNBIU-UHFFFAOYSA-N 2 2 372.561 2.905 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001340422321 1050818146 /nfs/dbraw/zinc/81/81/46/1050818146.db2.gz QZZIAORSTDJDMG-GOSISDBHSA-N 2 2 358.534 2.515 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001343552849 1052301742 /nfs/dbraw/zinc/30/17/42/1052301742.db2.gz DWCWHMGKLPRRKW-ROUUACIJSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001343552849 1052301743 /nfs/dbraw/zinc/30/17/43/1052301743.db2.gz DWCWHMGKLPRRKW-ROUUACIJSA-N 2 2 358.534 2.686 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001479644573 1062705953 /nfs/dbraw/zinc/70/59/53/1062705953.db2.gz YRSLVYWDNCADMA-RBUKOAKNSA-N 2 2 360.477 2.508 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001479644573 1062705979 /nfs/dbraw/zinc/70/59/79/1062705979.db2.gz YRSLVYWDNCADMA-RBUKOAKNSA-N 2 2 360.477 2.508 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)CC[N@H+](C)CC)CC[NH+]1Cc1cc(F)ccc1C#N ZINC001479644573 1062706002 /nfs/dbraw/zinc/70/60/02/1062706002.db2.gz YRSLVYWDNCADMA-RBUKOAKNSA-N 2 2 360.477 2.508 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)CC[NH+]1Cc1cc(F)ccc1C#N ZINC001479644573 1062706021 /nfs/dbraw/zinc/70/60/21/1062706021.db2.gz YRSLVYWDNCADMA-RBUKOAKNSA-N 2 2 360.477 2.508 20 30 FFEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]([NH3+])CCCCC#N)c(C)c1 ZINC001579667066 1078659591 /nfs/dbraw/zinc/65/95/91/1078659591.db2.gz GOGNKSIDBKJHBS-RTBURBONSA-N 2 2 353.470 2.769 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC001566044063 1076873037 /nfs/dbraw/zinc/87/30/37/1076873037.db2.gz FQOGEBCTANHPPW-QRVBRYPASA-N 2 2 370.541 2.897 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]2C1 ZINC001566044063 1076873039 /nfs/dbraw/zinc/87/30/39/1076873039.db2.gz FQOGEBCTANHPPW-QRVBRYPASA-N 2 2 370.541 2.897 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001566139102 1076924519 /nfs/dbraw/zinc/92/45/19/1076924519.db2.gz IZOWUAOCBZZSPL-RBUKOAKNSA-N 2 2 368.481 2.511 20 30 FFEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000299581787 258007528 /nfs/dbraw/zinc/00/75/28/258007528.db2.gz RJLSHYYTVLXVOI-OAQYLSRUSA-N 2 2 368.525 2.618 20 30 FFEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000299581787 258007530 /nfs/dbraw/zinc/00/75/30/258007530.db2.gz RJLSHYYTVLXVOI-OAQYLSRUSA-N 2 2 368.525 2.618 20 30 FFEDLP N#Cc1cccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000065014042 506249209 /nfs/dbraw/zinc/24/92/09/506249209.db2.gz YGVMWFVJIQNNML-UHFFFAOYSA-N 2 2 351.450 2.559 20 30 FFEDLP Cc1ncc2c(n1)CC[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000373224417 512228604 /nfs/dbraw/zinc/22/86/04/512228604.db2.gz UBFXFTIJZYUPHP-OAQYLSRUSA-N 2 2 361.493 2.768 20 30 FFEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000072898018 507870610 /nfs/dbraw/zinc/87/06/10/507870610.db2.gz HEDYWBSTSUJUAQ-SFTDATJTSA-N 2 2 368.525 2.747 20 30 FFEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000072898018 507870611 /nfs/dbraw/zinc/87/06/11/507870611.db2.gz HEDYWBSTSUJUAQ-SFTDATJTSA-N 2 2 368.525 2.747 20 30 FFEDLP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000090004395 507900294 /nfs/dbraw/zinc/90/02/94/507900294.db2.gz SNCHSYQNYPUCAK-OAHLLOKOSA-N 2 2 371.510 2.863 20 30 FFEDLP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000090004395 507900297 /nfs/dbraw/zinc/90/02/97/507900297.db2.gz SNCHSYQNYPUCAK-OAHLLOKOSA-N 2 2 371.510 2.863 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792301 507987153 /nfs/dbraw/zinc/98/71/53/507987153.db2.gz LQDPAZYUPDMOBB-KRWDZBQOSA-N 2 2 351.454 2.855 20 30 FFEDLP C[NH+](C)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000127953688 508527058 /nfs/dbraw/zinc/52/70/58/508527058.db2.gz BGLOKILEISICBR-UHFFFAOYSA-N 2 2 360.527 2.853 20 30 FFEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119061864 508717417 /nfs/dbraw/zinc/71/74/17/508717417.db2.gz IRZQOJRHHWRQLT-ZWKOTPCHSA-N 2 2 359.518 2.616 20 30 FFEDLP C=CCC[C@@H](CC)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119062189 508717600 /nfs/dbraw/zinc/71/76/00/508717600.db2.gz IRZQOJRHHWRQLT-MSOLQXFVSA-N 2 2 359.518 2.616 20 30 FFEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182812538 509437277 /nfs/dbraw/zinc/43/72/77/509437277.db2.gz PYNWKWVDOXHOLQ-UYAOXDASSA-N 2 2 354.498 2.860 20 30 FFEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182812538 509437282 /nfs/dbraw/zinc/43/72/82/509437282.db2.gz PYNWKWVDOXHOLQ-UYAOXDASSA-N 2 2 354.498 2.860 20 30 FFEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182812538 509437289 /nfs/dbraw/zinc/43/72/89/509437289.db2.gz PYNWKWVDOXHOLQ-UYAOXDASSA-N 2 2 354.498 2.860 20 30 FFEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182812538 509437295 /nfs/dbraw/zinc/43/72/95/509437295.db2.gz PYNWKWVDOXHOLQ-UYAOXDASSA-N 2 2 354.498 2.860 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)c(OC)c1 ZINC000264493083 509561188 /nfs/dbraw/zinc/56/11/88/509561188.db2.gz TWVIHZQOXJHRLS-LJQANCHMSA-N 2 2 362.514 2.626 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000249426820 509678930 /nfs/dbraw/zinc/67/89/30/509678930.db2.gz IVCPGRMMDIXZMP-SCTDSRPQSA-N 2 2 372.513 2.612 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000249426820 509678936 /nfs/dbraw/zinc/67/89/36/509678936.db2.gz IVCPGRMMDIXZMP-SCTDSRPQSA-N 2 2 372.513 2.612 20 30 FFEDLP C=CCC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CC1 ZINC000180781983 510105413 /nfs/dbraw/zinc/10/54/13/510105413.db2.gz FBXQQEXHAFEIBG-RBUKOAKNSA-N 2 2 371.529 2.616 20 30 FFEDLP CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261964001 510129694 /nfs/dbraw/zinc/12/96/94/510129694.db2.gz LBNZFOPBJNPRAJ-MNEFBYGVSA-N 2 2 373.476 2.604 20 30 FFEDLP CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000245807037 510151970 /nfs/dbraw/zinc/15/19/70/510151970.db2.gz QEEBOJVUVQHNAJ-QZTJIDSGSA-N 2 2 356.514 2.637 20 30 FFEDLP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652322 510282833 /nfs/dbraw/zinc/28/28/33/510282833.db2.gz UOEVQAGAHQUXOK-ZWKOTPCHSA-N 2 2 369.513 2.855 20 30 FFEDLP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000171652322 510282842 /nfs/dbraw/zinc/28/28/42/510282842.db2.gz UOEVQAGAHQUXOK-ZWKOTPCHSA-N 2 2 369.513 2.855 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246214589 510369374 /nfs/dbraw/zinc/36/93/74/510369374.db2.gz POAUVKASPQXCBR-OALUTQOASA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246214589 510369379 /nfs/dbraw/zinc/36/93/79/510369379.db2.gz POAUVKASPQXCBR-OALUTQOASA-N 2 2 354.498 2.739 20 30 FFEDLP CN(C)C(=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000181745695 510571415 /nfs/dbraw/zinc/57/14/15/510571415.db2.gz PCGSHFIINQLXLT-UHFFFAOYSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246743196 510648311 /nfs/dbraw/zinc/64/83/11/510648311.db2.gz HAFORMUCEGLHEL-RDJZCZTQSA-N 2 2 351.454 2.573 20 30 FFEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246743196 510648313 /nfs/dbraw/zinc/64/83/13/510648313.db2.gz HAFORMUCEGLHEL-RDJZCZTQSA-N 2 2 351.454 2.573 20 30 FFEDLP C[N@H+](Cc1cc(C#N)ccc1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188270944 510680732 /nfs/dbraw/zinc/68/07/32/510680732.db2.gz RQQXBVWAUAGBAW-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188270944 510680743 /nfs/dbraw/zinc/68/07/43/510680743.db2.gz RQQXBVWAUAGBAW-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1cc(C#N)ccc1F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188270944 510680753 /nfs/dbraw/zinc/68/07/53/510680753.db2.gz RQQXBVWAUAGBAW-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1cc(C#N)ccc1F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188270944 510680760 /nfs/dbraw/zinc/68/07/60/510680760.db2.gz RQQXBVWAUAGBAW-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000246926265 510750868 /nfs/dbraw/zinc/75/08/68/510750868.db2.gz DIFASNDGOUMJOE-NQSCKRDGSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000246926265 510750871 /nfs/dbraw/zinc/75/08/71/510750871.db2.gz DIFASNDGOUMJOE-NQSCKRDGSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000246926265 510750875 /nfs/dbraw/zinc/75/08/75/510750875.db2.gz DIFASNDGOUMJOE-NQSCKRDGSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000246926265 510750880 /nfs/dbraw/zinc/75/08/80/510750880.db2.gz DIFASNDGOUMJOE-NQSCKRDGSA-N 2 2 368.525 2.780 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(OC)c1 ZINC000266741604 510759020 /nfs/dbraw/zinc/75/90/20/510759020.db2.gz LYZUGPXXFCQPBB-SFHVURJKSA-N 2 2 371.481 2.766 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000270343258 510769814 /nfs/dbraw/zinc/76/98/14/510769814.db2.gz OGYXBJMDHJHQJL-UWJYYQICSA-N 2 2 365.481 2.618 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000270343258 510769821 /nfs/dbraw/zinc/76/98/21/510769821.db2.gz OGYXBJMDHJHQJL-UWJYYQICSA-N 2 2 365.481 2.618 20 30 FFEDLP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000247055707 510819342 /nfs/dbraw/zinc/81/93/42/510819342.db2.gz LPPXPULSQPBVCG-UYAOXDASSA-N 2 2 352.482 2.614 20 30 FFEDLP N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000247055707 510819348 /nfs/dbraw/zinc/81/93/48/510819348.db2.gz LPPXPULSQPBVCG-UYAOXDASSA-N 2 2 352.482 2.614 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247206829 510851752 /nfs/dbraw/zinc/85/17/52/510851752.db2.gz WOQMZOGKHKHICP-SBHAEUEKSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247206829 510851754 /nfs/dbraw/zinc/85/17/54/510851754.db2.gz WOQMZOGKHKHICP-SBHAEUEKSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247206829 510851755 /nfs/dbraw/zinc/85/17/55/510851755.db2.gz WOQMZOGKHKHICP-SBHAEUEKSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247206829 510851757 /nfs/dbraw/zinc/85/17/57/510851757.db2.gz WOQMZOGKHKHICP-SBHAEUEKSA-N 2 2 370.541 2.979 20 30 FFEDLP Cc1nnccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000330085682 510913154 /nfs/dbraw/zinc/91/31/54/510913154.db2.gz CZNYHLMCSVMAND-RTBURBONSA-N 2 2 374.533 2.600 20 30 FFEDLP Cc1nnccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000330085682 510913161 /nfs/dbraw/zinc/91/31/61/510913161.db2.gz CZNYHLMCSVMAND-RTBURBONSA-N 2 2 374.533 2.600 20 30 FFEDLP CO[C@H]1CC[N@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@H](C)C1 ZINC000330274691 510953914 /nfs/dbraw/zinc/95/39/14/510953914.db2.gz KNBRGXJHUCPKTL-HIFRSBDPSA-N 2 2 352.504 2.826 20 30 FFEDLP CO[C@H]1CC[N@@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@H](C)C1 ZINC000330274691 510953919 /nfs/dbraw/zinc/95/39/19/510953919.db2.gz KNBRGXJHUCPKTL-HIFRSBDPSA-N 2 2 352.504 2.826 20 30 FFEDLP CC1(C)CC(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC(C)(C)[NH2+]1 ZINC000330507194 510988925 /nfs/dbraw/zinc/98/89/25/510988925.db2.gz HRDFCMCIUZIVTL-UHFFFAOYSA-N 2 2 361.412 2.758 20 30 FFEDLP C[C@H]1C[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1C ZINC000278837575 511008997 /nfs/dbraw/zinc/00/89/97/511008997.db2.gz APOGKRAXAGBPDM-QFBILLFUSA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@H]1C[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1C ZINC000278837575 511009000 /nfs/dbraw/zinc/00/90/00/511009000.db2.gz APOGKRAXAGBPDM-QFBILLFUSA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[NH+]1C ZINC000278837575 511009003 /nfs/dbraw/zinc/00/90/03/511009003.db2.gz APOGKRAXAGBPDM-QFBILLFUSA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[NH+]1C ZINC000278837575 511009006 /nfs/dbraw/zinc/00/90/06/511009006.db2.gz APOGKRAXAGBPDM-QFBILLFUSA-N 2 2 352.486 2.773 20 30 FFEDLP N#CCCn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccncc2)n1 ZINC000279394886 511067881 /nfs/dbraw/zinc/06/78/81/511067881.db2.gz LUZORKGYUCSPPJ-KRWDZBQOSA-N 2 2 361.453 2.961 20 30 FFEDLP N#CCCn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccncc2)n1 ZINC000279394886 511067884 /nfs/dbraw/zinc/06/78/84/511067884.db2.gz LUZORKGYUCSPPJ-KRWDZBQOSA-N 2 2 361.453 2.961 20 30 FFEDLP C=C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000362677755 511216488 /nfs/dbraw/zinc/21/64/88/511216488.db2.gz UWCDUXGZYZUUDU-RXVVDRJESA-N 2 2 355.526 2.973 20 30 FFEDLP C=C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000362677755 511216489 /nfs/dbraw/zinc/21/64/89/511216489.db2.gz UWCDUXGZYZUUDU-RXVVDRJESA-N 2 2 355.526 2.973 20 30 FFEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000271641646 511272078 /nfs/dbraw/zinc/27/20/78/511272078.db2.gz HEODKLZXMHJISC-MRXNPFEDSA-N 2 2 368.506 2.615 20 30 FFEDLP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000271913463 511368789 /nfs/dbraw/zinc/36/87/89/511368789.db2.gz YGTJQEFCRGWUHJ-TZIWHRDSSA-N 2 2 368.525 2.759 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000292094542 511462985 /nfs/dbraw/zinc/46/29/85/511462985.db2.gz HDAYHEBQUIKQSI-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000292094542 511462991 /nfs/dbraw/zinc/46/29/91/511462991.db2.gz HDAYHEBQUIKQSI-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000292094542 511462998 /nfs/dbraw/zinc/46/29/98/511462998.db2.gz HDAYHEBQUIKQSI-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1C ZINC000292094542 511463002 /nfs/dbraw/zinc/46/30/02/511463002.db2.gz HDAYHEBQUIKQSI-NRFANRHFSA-N 2 2 354.498 2.578 20 30 FFEDLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000312862763 511787246 /nfs/dbraw/zinc/78/72/46/511787246.db2.gz ZXDZRBMAIMTTNU-ZNLUXHQJSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000312862763 511787251 /nfs/dbraw/zinc/78/72/51/511787251.db2.gz ZXDZRBMAIMTTNU-ZNLUXHQJSA-N 2 2 365.477 2.551 20 30 FFEDLP CC(C)[NH+]1CCC([NH+]2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)CC1 ZINC000328601321 511889680 /nfs/dbraw/zinc/88/96/80/511889680.db2.gz FGMHHHNPTDBITF-HNNXBMFYSA-N 2 2 365.547 2.610 20 30 FFEDLP CCc1csc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000328615607 511893974 /nfs/dbraw/zinc/89/39/74/511893974.db2.gz RWGIBTGDCBXENA-UHFFFAOYSA-N 2 2 351.520 2.590 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328772350 511929447 /nfs/dbraw/zinc/92/94/47/511929447.db2.gz BCZNLZSIKKQRRW-JTDSTZFVSA-N 2 2 350.507 2.853 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328772350 511929454 /nfs/dbraw/zinc/92/94/54/511929454.db2.gz BCZNLZSIKKQRRW-JTDSTZFVSA-N 2 2 350.507 2.853 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328772350 511929459 /nfs/dbraw/zinc/92/94/59/511929459.db2.gz BCZNLZSIKKQRRW-JTDSTZFVSA-N 2 2 350.507 2.853 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328772350 511929464 /nfs/dbraw/zinc/92/94/64/511929464.db2.gz BCZNLZSIKKQRRW-JTDSTZFVSA-N 2 2 350.507 2.853 20 30 FFEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000328789622 511932274 /nfs/dbraw/zinc/93/22/74/511932274.db2.gz YHUIACJMEPDWLC-SFHVURJKSA-N 2 2 367.497 2.913 20 30 FFEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000328789622 511932279 /nfs/dbraw/zinc/93/22/79/511932279.db2.gz YHUIACJMEPDWLC-SFHVURJKSA-N 2 2 367.497 2.913 20 30 FFEDLP C[N@@H+]1CC[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[C@H]1c1ccccc1 ZINC000328891617 511946332 /nfs/dbraw/zinc/94/63/32/511946332.db2.gz STZRHYIRPPLZCZ-PKOBYXMFSA-N 2 2 353.470 2.949 20 30 FFEDLP C[N@H+]1CC[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[C@H]1c1ccccc1 ZINC000328891617 511946341 /nfs/dbraw/zinc/94/63/41/511946341.db2.gz STZRHYIRPPLZCZ-PKOBYXMFSA-N 2 2 353.470 2.949 20 30 FFEDLP C[N@@H+]1CC[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[C@H]1c1ccccc1 ZINC000328891617 511946344 /nfs/dbraw/zinc/94/63/44/511946344.db2.gz STZRHYIRPPLZCZ-PKOBYXMFSA-N 2 2 353.470 2.949 20 30 FFEDLP C[N@H+]1CC[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[C@H]1c1ccccc1 ZINC000328891617 511946351 /nfs/dbraw/zinc/94/63/51/511946351.db2.gz STZRHYIRPPLZCZ-PKOBYXMFSA-N 2 2 353.470 2.949 20 30 FFEDLP C[NH+]1CCC2(CCCN2C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000329075167 511977433 /nfs/dbraw/zinc/97/74/33/511977433.db2.gz PLXBGLWRKMFDCU-UHFFFAOYSA-N 2 2 353.470 2.847 20 30 FFEDLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329258429 512015447 /nfs/dbraw/zinc/01/54/47/512015447.db2.gz AFSSGZRPEFIJRK-QGZVFWFLSA-N 2 2 372.513 2.818 20 30 FFEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329270615 512017437 /nfs/dbraw/zinc/01/74/37/512017437.db2.gz HNVHNSCYOIDLDI-LJQANCHMSA-N 2 2 354.454 2.972 20 30 FFEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329270615 512017445 /nfs/dbraw/zinc/01/74/45/512017445.db2.gz HNVHNSCYOIDLDI-LJQANCHMSA-N 2 2 354.454 2.972 20 30 FFEDLP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000329406285 512040720 /nfs/dbraw/zinc/04/07/20/512040720.db2.gz XGALGPHGYJOYIK-OAHLLOKOSA-N 2 2 354.454 2.690 20 30 FFEDLP CC1CCC([NH+]2CCN(C(=O)NCCc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000329456754 512050788 /nfs/dbraw/zinc/05/07/88/512050788.db2.gz NMVVVDFSZQGPGC-UHFFFAOYSA-N 2 2 369.513 2.987 20 30 FFEDLP CCC[NH+]1CCC(CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000329483271 512056154 /nfs/dbraw/zinc/05/61/54/512056154.db2.gz WKNGTTRVYDPEHF-GOSISDBHSA-N 2 2 373.545 2.796 20 30 FFEDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000329811569 512100508 /nfs/dbraw/zinc/10/05/08/512100508.db2.gz RMNPUTLILFOICH-IEBWSBKVSA-N 2 2 353.470 2.845 20 30 FFEDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000329811569 512100510 /nfs/dbraw/zinc/10/05/10/512100510.db2.gz RMNPUTLILFOICH-IEBWSBKVSA-N 2 2 353.470 2.845 20 30 FFEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCCC1 ZINC000376396512 512800673 /nfs/dbraw/zinc/80/06/73/512800673.db2.gz BPDCRXRYMOIQQU-KRWDZBQOSA-N 2 2 369.513 2.741 20 30 FFEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCCC1 ZINC000376396512 512800678 /nfs/dbraw/zinc/80/06/78/512800678.db2.gz BPDCRXRYMOIQQU-KRWDZBQOSA-N 2 2 369.513 2.741 20 30 FFEDLP C=CCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000448392948 513749033 /nfs/dbraw/zinc/74/90/33/513749033.db2.gz ZYBWGHTUSPBQPX-RBUKOAKNSA-N 2 2 350.551 2.931 20 30 FFEDLP C=CCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448392948 513749040 /nfs/dbraw/zinc/74/90/40/513749040.db2.gz ZYBWGHTUSPBQPX-RBUKOAKNSA-N 2 2 350.551 2.931 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431164344 513842332 /nfs/dbraw/zinc/84/23/32/513842332.db2.gz VNPXNVZMLOYKBU-AZUAARDMSA-N 2 2 354.450 2.703 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431164344 513842338 /nfs/dbraw/zinc/84/23/38/513842338.db2.gz VNPXNVZMLOYKBU-AZUAARDMSA-N 2 2 354.450 2.703 20 30 FFEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458597675 514938730 /nfs/dbraw/zinc/93/87/30/514938730.db2.gz POINEALSEHMMFF-HXUWFJFHSA-N 2 2 371.529 2.747 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499934262 515521530 /nfs/dbraw/zinc/52/15/30/515521530.db2.gz GORDEZJUHLYFHO-KRWDZBQOSA-N 2 2 360.477 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499934262 515521536 /nfs/dbraw/zinc/52/15/36/515521536.db2.gz GORDEZJUHLYFHO-KRWDZBQOSA-N 2 2 360.477 2.879 20 30 FFEDLP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1C ZINC000506615616 515931591 /nfs/dbraw/zinc/93/15/91/515931591.db2.gz YRYVXGQOKRQVJG-UHFFFAOYSA-N 2 2 373.541 2.908 20 30 FFEDLP CN(C(=O)NCC(C)(C)C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000512888060 516400682 /nfs/dbraw/zinc/40/06/82/516400682.db2.gz FDRGNAZGCHBHMO-QZTJIDSGSA-N 2 2 363.550 2.515 20 30 FFEDLP CN(C(=O)NCC(C)(C)C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000512888060 516400685 /nfs/dbraw/zinc/40/06/85/516400685.db2.gz FDRGNAZGCHBHMO-QZTJIDSGSA-N 2 2 363.550 2.515 20 30 FFEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000530229994 517639215 /nfs/dbraw/zinc/63/92/15/517639215.db2.gz CGXGJRMPVNVJTC-DUXKGJEZSA-N 2 2 365.477 2.723 20 30 FFEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000530229994 517639221 /nfs/dbraw/zinc/63/92/21/517639221.db2.gz CGXGJRMPVNVJTC-DUXKGJEZSA-N 2 2 365.477 2.723 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543063130 517888997 /nfs/dbraw/zinc/88/89/97/517888997.db2.gz KLQLNBQERDSGHK-FQEVSTJZSA-N 2 2 368.481 2.687 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3Cc4ccccc4NC3=O)CC2)cc1 ZINC000527800869 517921452 /nfs/dbraw/zinc/92/14/52/517921452.db2.gz OWTIFQZXUXVQRO-NRFANRHFSA-N 2 2 360.461 2.676 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000517318280 518115677 /nfs/dbraw/zinc/11/56/77/518115677.db2.gz VZUBAVJDZZNKJD-LJQANCHMSA-N 2 2 367.497 2.849 20 30 FFEDLP N#Cc1cnn2cc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000569605239 518204721 /nfs/dbraw/zinc/20/47/21/518204721.db2.gz GYWWFNWCOZHTTC-FPOVZHCZSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000569605239 518204724 /nfs/dbraw/zinc/20/47/24/518204724.db2.gz GYWWFNWCOZHTTC-FPOVZHCZSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000569605239 518204730 /nfs/dbraw/zinc/20/47/30/518204730.db2.gz GYWWFNWCOZHTTC-FPOVZHCZSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cnc12 ZINC000569605239 518204734 /nfs/dbraw/zinc/20/47/34/518204734.db2.gz GYWWFNWCOZHTTC-FPOVZHCZSA-N 2 2 372.476 2.555 20 30 FFEDLP C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000572464765 518207556 /nfs/dbraw/zinc/20/75/56/518207556.db2.gz ZRZZKYBFCTUZOA-UHFFFAOYSA-N 2 2 374.577 2.972 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582912196 518982073 /nfs/dbraw/zinc/98/20/73/518982073.db2.gz WXFSOMAGXYTUGN-FDFHNCONSA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582912196 518982085 /nfs/dbraw/zinc/98/20/85/518982085.db2.gz WXFSOMAGXYTUGN-FDFHNCONSA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582912196 518982092 /nfs/dbraw/zinc/98/20/92/518982092.db2.gz WXFSOMAGXYTUGN-FDFHNCONSA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582912196 518982098 /nfs/dbraw/zinc/98/20/98/518982098.db2.gz WXFSOMAGXYTUGN-FDFHNCONSA-N 2 2 374.488 2.539 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000569375352 519519415 /nfs/dbraw/zinc/51/94/15/519519415.db2.gz OKBGTQWOABDHMZ-OLZOCXBDSA-N 2 2 369.494 2.658 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000569375352 519519421 /nfs/dbraw/zinc/51/94/21/519519421.db2.gz OKBGTQWOABDHMZ-OLZOCXBDSA-N 2 2 369.494 2.658 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000584108521 519594635 /nfs/dbraw/zinc/59/46/35/519594635.db2.gz HOYPATCTHQQOBJ-RBUKOAKNSA-N 2 2 355.482 2.827 20 30 FFEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594512959 520010138 /nfs/dbraw/zinc/01/01/38/520010138.db2.gz ZAGUIXULTROHRQ-GBESFXJTSA-N 2 2 370.541 2.610 20 30 FFEDLP N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000608779699 520123769 /nfs/dbraw/zinc/12/37/69/520123769.db2.gz VREJPDZDSUEJMN-UHFFFAOYSA-N 2 2 374.448 2.932 20 30 FFEDLP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594965107 520232443 /nfs/dbraw/zinc/23/24/43/520232443.db2.gz ONRDGUYCBWOONL-KSEOMHKRSA-N 2 2 371.525 2.678 20 30 FFEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000600714383 520416916 /nfs/dbraw/zinc/41/69/16/520416916.db2.gz LSQBUPVFUBFTDE-LEWJYISDSA-N 2 2 365.477 2.725 20 30 FFEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000600720153 520420630 /nfs/dbraw/zinc/42/06/30/520420630.db2.gz GSAQAWSEHJNIKD-RTWAWAEBSA-N 2 2 371.525 2.702 20 30 FFEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000600720153 520420638 /nfs/dbraw/zinc/42/06/38/520420638.db2.gz GSAQAWSEHJNIKD-RTWAWAEBSA-N 2 2 371.525 2.702 20 30 FFEDLP N#CC1(C[C@@H](O)C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CCOCC1 ZINC000600739057 520437695 /nfs/dbraw/zinc/43/76/95/520437695.db2.gz NLGAXQQCJQOEFF-OAHLLOKOSA-N 2 2 374.872 2.687 20 30 FFEDLP N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000595620822 520598633 /nfs/dbraw/zinc/59/86/33/520598633.db2.gz RFIOQCOZSSTARM-KRWDZBQOSA-N 2 2 372.538 2.800 20 30 FFEDLP N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000595620822 520598637 /nfs/dbraw/zinc/59/86/37/520598637.db2.gz RFIOQCOZSSTARM-KRWDZBQOSA-N 2 2 372.538 2.800 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610945328 520915119 /nfs/dbraw/zinc/91/51/19/520915119.db2.gz XYTCIFFJIVFUER-NRGCRIOASA-N 2 2 357.502 2.839 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610945328 520915128 /nfs/dbraw/zinc/91/51/28/520915128.db2.gz XYTCIFFJIVFUER-NRGCRIOASA-N 2 2 357.502 2.839 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593968426 521321104 /nfs/dbraw/zinc/32/11/04/521321104.db2.gz KUSWHJISPHKXQJ-HZPDHXFCSA-N 2 2 369.444 2.684 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593968426 521321112 /nfs/dbraw/zinc/32/11/12/521321112.db2.gz KUSWHJISPHKXQJ-HZPDHXFCSA-N 2 2 369.444 2.684 20 30 FFEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000602845404 521567192 /nfs/dbraw/zinc/56/71/92/521567192.db2.gz KBEPZXMMWVQESX-OAHLLOKOSA-N 2 2 367.453 2.702 20 30 FFEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000602845404 521567202 /nfs/dbraw/zinc/56/72/02/521567202.db2.gz KBEPZXMMWVQESX-OAHLLOKOSA-N 2 2 367.453 2.702 20 30 FFEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CCOc2ccccc21 ZINC000083033278 728409002 /nfs/dbraw/zinc/40/90/02/728409002.db2.gz MVCFGMQDEDNHKT-MRXNPFEDSA-N 2 2 356.495 2.534 20 30 FFEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CCOc2ccccc21 ZINC000083033278 728409006 /nfs/dbraw/zinc/40/90/06/728409006.db2.gz MVCFGMQDEDNHKT-MRXNPFEDSA-N 2 2 356.495 2.534 20 30 FFEDLP C[C@@H]1CNC(NN=C2CC[N@H+](C)[C@H](c3ccc(Br)cc3)C2)=[NH+]1 ZINC000863105610 730750381 /nfs/dbraw/zinc/75/03/81/730750381.db2.gz VXDOGIAEPMQAEW-ABAIWWIYSA-N 2 2 364.291 2.509 20 30 FFEDLP C[C@@H]1CNC(NN=C2CC[N@@H+](C)[C@H](c3ccc(Br)cc3)C2)=[NH+]1 ZINC000863105610 730750382 /nfs/dbraw/zinc/75/03/82/730750382.db2.gz VXDOGIAEPMQAEW-ABAIWWIYSA-N 2 2 364.291 2.509 20 30 FFEDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2F)CC1 ZINC000810143499 741392309 /nfs/dbraw/zinc/39/23/09/741392309.db2.gz IBTYSGCFCNMMES-UHFFFAOYSA-N 2 2 359.474 2.586 20 30 FFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1I ZINC000815652697 741950495 /nfs/dbraw/zinc/95/04/95/741950495.db2.gz NRIQVAVXSCRNDZ-CYBMUJFWSA-N 2 2 356.251 2.897 20 30 FFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1I ZINC000815652697 741950497 /nfs/dbraw/zinc/95/04/97/741950497.db2.gz NRIQVAVXSCRNDZ-CYBMUJFWSA-N 2 2 356.251 2.897 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(Cl)c(C#N)s3)CC2)CC1 ZINC000817124239 742089941 /nfs/dbraw/zinc/08/99/41/742089941.db2.gz BKYPQGYKZALPBC-UHFFFAOYSA-N 2 2 353.923 2.665 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(c3nc(Cl)c(C#N)s3)CC2)CC1 ZINC000817124239 742089946 /nfs/dbraw/zinc/08/99/46/742089946.db2.gz BKYPQGYKZALPBC-UHFFFAOYSA-N 2 2 353.923 2.665 20 30 FFEDLP CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261931633 964609888 /nfs/dbraw/zinc/60/98/88/964609888.db2.gz BLRJTEVNQKNCFD-DOTOQJQBSA-N 2 2 369.469 2.660 20 30 FFEDLP C=CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087471493 965385820 /nfs/dbraw/zinc/38/58/20/965385820.db2.gz HNFNWMMXDCAOLS-SFTDATJTSA-N 2 2 371.525 2.641 20 30 FFEDLP C=CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001087471493 965385830 /nfs/dbraw/zinc/38/58/30/965385830.db2.gz HNFNWMMXDCAOLS-SFTDATJTSA-N 2 2 371.525 2.641 20 30 FFEDLP N#Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)c1 ZINC001270757884 965875512 /nfs/dbraw/zinc/87/55/12/965875512.db2.gz VPWMACRPTDKJBC-QZTJIDSGSA-N 2 2 363.465 2.604 20 30 FFEDLP N#Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)c1 ZINC001270757884 965875519 /nfs/dbraw/zinc/87/55/19/965875519.db2.gz VPWMACRPTDKJBC-QZTJIDSGSA-N 2 2 363.465 2.604 20 30 FFEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)s1 ZINC001270756826 965880737 /nfs/dbraw/zinc/88/07/37/965880737.db2.gz IXKVACYPBOVUAP-HZPDHXFCSA-N 2 2 369.494 2.665 20 30 FFEDLP N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)s1 ZINC001270756826 965880748 /nfs/dbraw/zinc/88/07/48/965880748.db2.gz IXKVACYPBOVUAP-HZPDHXFCSA-N 2 2 369.494 2.665 20 30 FFEDLP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001075453749 966842728 /nfs/dbraw/zinc/84/27/28/966842728.db2.gz AGFCAOXBIJTYLN-DFQSSKMNSA-N 2 2 368.525 2.877 20 30 FFEDLP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001075453749 966842734 /nfs/dbraw/zinc/84/27/34/966842734.db2.gz AGFCAOXBIJTYLN-DFQSSKMNSA-N 2 2 368.525 2.877 20 30 FFEDLP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001075453749 966842743 /nfs/dbraw/zinc/84/27/43/966842743.db2.gz AGFCAOXBIJTYLN-DFQSSKMNSA-N 2 2 368.525 2.877 20 30 FFEDLP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001075453749 966842751 /nfs/dbraw/zinc/84/27/51/966842751.db2.gz AGFCAOXBIJTYLN-DFQSSKMNSA-N 2 2 368.525 2.877 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001087578026 968231526 /nfs/dbraw/zinc/23/15/26/968231526.db2.gz WTNSNQIIZLILBF-PPRPKMEESA-N 2 2 372.488 2.507 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001087578026 968231536 /nfs/dbraw/zinc/23/15/36/968231536.db2.gz WTNSNQIIZLILBF-PPRPKMEESA-N 2 2 372.488 2.507 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1Cc1cc(F)ccc1C#N ZINC001087578026 968231548 /nfs/dbraw/zinc/23/15/48/968231548.db2.gz WTNSNQIIZLILBF-PPRPKMEESA-N 2 2 372.488 2.507 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1cc(F)ccc1C#N ZINC001087578026 968231559 /nfs/dbraw/zinc/23/15/59/968231559.db2.gz WTNSNQIIZLILBF-PPRPKMEESA-N 2 2 372.488 2.507 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1c1ccccc1 ZINC001211625506 968265280 /nfs/dbraw/zinc/26/52/80/968265280.db2.gz JSQYTXVRJHPINC-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211681997 975120871 /nfs/dbraw/zinc/12/08/71/975120871.db2.gz DIFCIBXSCFRZCG-YSIASYRMSA-N 2 2 352.482 2.995 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001087429617 975811080 /nfs/dbraw/zinc/81/10/80/975811080.db2.gz UCTLMTCHOMTTDI-AQNXPRMDSA-N 2 2 364.493 2.921 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001087429617 975811094 /nfs/dbraw/zinc/81/10/94/975811094.db2.gz UCTLMTCHOMTTDI-AQNXPRMDSA-N 2 2 364.493 2.921 20 30 FFEDLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(C#N)cnc3Cl)cc2)CC1 ZINC000876932888 1014424355 /nfs/dbraw/zinc/42/43/55/1014424355.db2.gz YTTPBJXFUIXUTD-UHFFFAOYSA-N 2 2 369.900 2.644 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001087455723 977776803 /nfs/dbraw/zinc/77/68/03/977776803.db2.gz JRKKDWJOZWHOBW-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001087455723 977776806 /nfs/dbraw/zinc/77/68/06/977776806.db2.gz JRKKDWJOZWHOBW-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001087455723 977776816 /nfs/dbraw/zinc/77/68/16/977776816.db2.gz JRKKDWJOZWHOBW-NJYVYQBISA-N 2 2 371.500 2.607 20 30 FFEDLP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968861205 1014591597 /nfs/dbraw/zinc/59/15/97/1014591597.db2.gz JHLVTZCHTQUVOB-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968861205 1014591606 /nfs/dbraw/zinc/59/16/06/1014591606.db2.gz JHLVTZCHTQUVOB-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)[C@@H]2C)c[nH+]1 ZINC001088657641 982208260 /nfs/dbraw/zinc/20/82/60/982208260.db2.gz MOVSMQZZRZNPCM-APWZRJJASA-N 2 2 365.481 2.578 20 30 FFEDLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)c[nH+]1 ZINC001088657641 982208265 /nfs/dbraw/zinc/20/82/65/982208265.db2.gz MOVSMQZZRZNPCM-APWZRJJASA-N 2 2 365.481 2.578 20 30 FFEDLP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544111 982394802 /nfs/dbraw/zinc/39/48/02/982394802.db2.gz ARZHSUCGMWRSIC-ZHALLVOQSA-N 2 2 354.498 2.678 20 30 FFEDLP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001105544111 982394807 /nfs/dbraw/zinc/39/48/07/982394807.db2.gz ARZHSUCGMWRSIC-ZHALLVOQSA-N 2 2 354.498 2.678 20 30 FFEDLP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001105563096 982411693 /nfs/dbraw/zinc/41/16/93/982411693.db2.gz CSENNHQDNBEZHV-ZHALLVOQSA-N 2 2 356.514 2.851 20 30 FFEDLP C[C@@H]1CCOCC[NH+]1Cc1cc(C#N)cc(C[N@H+]2CCOCC[C@@H]2C)c1 ZINC000878374266 1015013385 /nfs/dbraw/zinc/01/33/85/1015013385.db2.gz QSLPAZUADILKGW-HDICACEKSA-N 2 2 357.498 2.780 20 30 FFEDLP C[C@@H]1CCOCC[NH+]1Cc1cc(C#N)cc(C[N@@H+]2CCOCC[C@@H]2C)c1 ZINC000878374266 1015013392 /nfs/dbraw/zinc/01/33/92/1015013392.db2.gz QSLPAZUADILKGW-HDICACEKSA-N 2 2 357.498 2.780 20 30 FFEDLP C[C@@H]1CCOCC[N@@H+]1Cc1cc(C#N)cc(C[NH+]2CCOCC[C@@H]2C)c1 ZINC000878374266 1015013414 /nfs/dbraw/zinc/01/34/14/1015013414.db2.gz QSLPAZUADILKGW-HDICACEKSA-N 2 2 357.498 2.780 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001079200725 991875628 /nfs/dbraw/zinc/87/56/28/991875628.db2.gz GCSXZAZDSZAMOX-AYOQOUSVSA-N 2 2 356.445 2.744 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001079193661 991907943 /nfs/dbraw/zinc/90/79/43/991907943.db2.gz OLKVBTKNXQEUFJ-RBUKOAKNSA-N 2 2 356.445 2.573 20 30 FFEDLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082593619 995012686 /nfs/dbraw/zinc/01/26/86/995012686.db2.gz UFQDDEDIBHDGNR-JLTOFOAXSA-N 2 2 359.433 2.685 20 30 FFEDLP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001133399519 995493414 /nfs/dbraw/zinc/49/34/14/995493414.db2.gz QVQHYVHXCHKQNK-QZTJIDSGSA-N 2 2 370.884 2.808 20 30 FFEDLP CC#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001133399519 995493417 /nfs/dbraw/zinc/49/34/17/995493417.db2.gz QVQHYVHXCHKQNK-QZTJIDSGSA-N 2 2 370.884 2.808 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479361 1016001580 /nfs/dbraw/zinc/00/15/80/1016001580.db2.gz JTZZUKMXGRKIDJ-WTGUMLROSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479361 1016001588 /nfs/dbraw/zinc/00/15/88/1016001588.db2.gz JTZZUKMXGRKIDJ-WTGUMLROSA-N 2 2 368.525 2.795 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000730280047 997055460 /nfs/dbraw/zinc/05/54/60/997055460.db2.gz YSBPHGRMRGLIRN-SFTDATJTSA-N 2 2 353.510 2.673 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000730280047 997055476 /nfs/dbraw/zinc/05/54/76/997055476.db2.gz YSBPHGRMRGLIRN-SFTDATJTSA-N 2 2 353.510 2.673 20 30 FFEDLP C=CC[NH+]1CCN(C(=O)CCC[N@@H+](CC)[C@H](C)Cc2ccc(O)cc2)CC1 ZINC001183051466 1002134551 /nfs/dbraw/zinc/13/45/51/1002134551.db2.gz SSEUDKGFBRTODI-LJQANCHMSA-N 2 2 373.541 2.756 20 30 FFEDLP C=CC[NH+]1CCN(C(=O)CCC[N@H+](CC)[C@H](C)Cc2ccc(O)cc2)CC1 ZINC001183051466 1002134559 /nfs/dbraw/zinc/13/45/59/1002134559.db2.gz SSEUDKGFBRTODI-LJQANCHMSA-N 2 2 373.541 2.756 20 30 FFEDLP C[NH+](C)CCCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183839484 1002407219 /nfs/dbraw/zinc/40/72/19/1002407219.db2.gz XLBJDMAKKDHPFT-FQEVSTJZSA-N 2 2 356.514 2.761 20 30 FFEDLP C[NH+](C)CCCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183839484 1002407227 /nfs/dbraw/zinc/40/72/27/1002407227.db2.gz XLBJDMAKKDHPFT-FQEVSTJZSA-N 2 2 356.514 2.761 20 30 FFEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086592499 1002537477 /nfs/dbraw/zinc/53/74/77/1002537477.db2.gz QMWRLURURIZYLY-IPMKNSEASA-N 2 2 350.466 2.531 20 30 FFEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086592499 1002537487 /nfs/dbraw/zinc/53/74/87/1002537487.db2.gz QMWRLURURIZYLY-IPMKNSEASA-N 2 2 350.466 2.531 20 30 FFEDLP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001050048277 1016872926 /nfs/dbraw/zinc/87/29/26/1016872926.db2.gz OEAPAQKZQJFTHB-IYWMVGAKSA-N 2 2 368.525 2.653 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001050048277 1016872936 /nfs/dbraw/zinc/87/29/36/1016872936.db2.gz OEAPAQKZQJFTHB-IYWMVGAKSA-N 2 2 368.525 2.653 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001187958209 1006341784 /nfs/dbraw/zinc/34/17/84/1006341784.db2.gz KQOPPHCURQGZBG-IYWMVGAKSA-N 2 2 368.525 2.653 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)[C@@H]2C1 ZINC001187958209 1006341796 /nfs/dbraw/zinc/34/17/96/1006341796.db2.gz KQOPPHCURQGZBG-IYWMVGAKSA-N 2 2 368.525 2.653 20 30 FFEDLP CCc1ccc(C#CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000815707517 1006755367 /nfs/dbraw/zinc/75/53/67/1006755367.db2.gz CLHLRKNXYACKFA-UHFFFAOYSA-N 2 2 367.537 2.667 20 30 FFEDLP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)[nH+]c1C ZINC000886670118 1008805725 /nfs/dbraw/zinc/80/57/25/1008805725.db2.gz JRHOZPLYKRCZCB-MRXNPFEDSA-N 2 2 357.502 2.937 20 30 FFEDLP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001206744082 1032406970 /nfs/dbraw/zinc/40/69/70/1032406970.db2.gz QPJCOPSXJBJODQ-UHFFFAOYSA-N 2 2 350.470 2.823 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450397 1011138759 /nfs/dbraw/zinc/13/87/59/1011138759.db2.gz OQKZWMYUQYRGIH-KVSKMBFKSA-N 2 2 362.905 2.559 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCC[C@@H]12 ZINC001094450397 1011138762 /nfs/dbraw/zinc/13/87/62/1011138762.db2.gz OQKZWMYUQYRGIH-KVSKMBFKSA-N 2 2 362.905 2.559 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCn1cc[nH+]c1)C2=O ZINC001276340001 1012010912 /nfs/dbraw/zinc/01/09/12/1012010912.db2.gz XLGWKJAYRYRQIV-NRFANRHFSA-N 2 2 350.466 2.840 20 30 FFEDLP C=CCCC[N@H+]1CC[C@]2(C1)c1ccccc1N(CCn1cc[nH+]c1)C2=O ZINC001276340001 1012010926 /nfs/dbraw/zinc/01/09/26/1012010926.db2.gz XLGWKJAYRYRQIV-NRFANRHFSA-N 2 2 350.466 2.840 20 30 FFEDLP COc1ccc(CCNC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000303363090 1012080803 /nfs/dbraw/zinc/08/08/03/1012080803.db2.gz DRMDOTQXTFTZKU-OAHLLOKOSA-N 2 2 372.538 2.650 20 30 FFEDLP COc1ccc(CCNC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000303363090 1012080822 /nfs/dbraw/zinc/08/08/22/1012080822.db2.gz DRMDOTQXTFTZKU-OAHLLOKOSA-N 2 2 372.538 2.650 20 30 FFEDLP C=CCOC1CCC([NH+]2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)CC1 ZINC001173321291 1012437435 /nfs/dbraw/zinc/43/74/35/1012437435.db2.gz ZTIXPNQEKRUCPS-UHFFFAOYSA-N 2 2 361.534 2.838 20 30 FFEDLP C=CCOC1CCC([NH+]2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)CC1 ZINC001173321291 1012437447 /nfs/dbraw/zinc/43/74/47/1012437447.db2.gz ZTIXPNQEKRUCPS-UHFFFAOYSA-N 2 2 361.534 2.838 20 30 FFEDLP C=CCOC1CCC([N@H+]2CCCn3c(C[NH+](C)C(C)C)nnc3C2)CC1 ZINC001173321291 1012437459 /nfs/dbraw/zinc/43/74/59/1012437459.db2.gz ZTIXPNQEKRUCPS-UHFFFAOYSA-N 2 2 361.534 2.838 20 30 FFEDLP C=CCOC1CCC([N@@H+]2CCCn3c(C[NH+](C)C(C)C)nnc3C2)CC1 ZINC001173321291 1012437470 /nfs/dbraw/zinc/43/74/70/1012437470.db2.gz ZTIXPNQEKRUCPS-UHFFFAOYSA-N 2 2 361.534 2.838 20 30 FFEDLP C=CCOC1CCC([NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001173321909 1012441214 /nfs/dbraw/zinc/44/12/14/1012441214.db2.gz VLZHMIURUYKFJB-HJLBWTBNSA-N 2 2 358.530 2.688 20 30 FFEDLP C=CCOC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001173321909 1012441224 /nfs/dbraw/zinc/44/12/24/1012441224.db2.gz VLZHMIURUYKFJB-HJLBWTBNSA-N 2 2 358.530 2.688 20 30 FFEDLP C=CCOC1CCC([N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001173321909 1012441233 /nfs/dbraw/zinc/44/12/33/1012441233.db2.gz VLZHMIURUYKFJB-HJLBWTBNSA-N 2 2 358.530 2.688 20 30 FFEDLP C=CCOC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001173321909 1012441242 /nfs/dbraw/zinc/44/12/42/1012441242.db2.gz VLZHMIURUYKFJB-HJLBWTBNSA-N 2 2 358.530 2.688 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000303902243 1012513865 /nfs/dbraw/zinc/51/38/65/1012513865.db2.gz XSNLXPYXACFLAU-UHFFFAOYSA-N 2 2 369.400 2.955 20 30 FFEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001097177683 1017151756 /nfs/dbraw/zinc/15/17/56/1017151756.db2.gz YHNRMMXOEFMUFN-CGXNFDGLSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001097177683 1017151765 /nfs/dbraw/zinc/15/17/65/1017151765.db2.gz YHNRMMXOEFMUFN-CGXNFDGLSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001097177683 1017151775 /nfs/dbraw/zinc/15/17/75/1017151775.db2.gz YHNRMMXOEFMUFN-CGXNFDGLSA-N 2 2 366.509 2.654 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001097177683 1017151783 /nfs/dbraw/zinc/15/17/83/1017151783.db2.gz YHNRMMXOEFMUFN-CGXNFDGLSA-N 2 2 366.509 2.654 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001071065255 1020170347 /nfs/dbraw/zinc/17/03/47/1020170347.db2.gz KPERIFCOWNPGIJ-QUCCMNQESA-N 2 2 368.481 2.738 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(CCC#N)cc3)CC2)CC1 ZINC000932572022 1020836683 /nfs/dbraw/zinc/83/66/83/1020836683.db2.gz SFZXHOIEQFCXHO-UHFFFAOYSA-N 2 2 369.513 2.823 20 30 FFEDLP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000948961529 1023424987 /nfs/dbraw/zinc/42/49/87/1023424987.db2.gz LBMLVIQVCDCPTF-SFHLNBCPSA-N 2 2 364.493 2.815 20 30 FFEDLP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000948961529 1023424990 /nfs/dbraw/zinc/42/49/90/1023424990.db2.gz LBMLVIQVCDCPTF-SFHLNBCPSA-N 2 2 364.493 2.815 20 30 FFEDLP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001101575733 1024890204 /nfs/dbraw/zinc/89/02/04/1024890204.db2.gz BPIPPGZZSJZGIQ-QZTJIDSGSA-N 2 2 358.530 2.954 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001102383432 1025858650 /nfs/dbraw/zinc/85/86/50/1025858650.db2.gz AESKYHLOFSKXTO-NCXUSEDFSA-N 2 2 358.530 2.954 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001102383432 1025858662 /nfs/dbraw/zinc/85/86/62/1025858662.db2.gz AESKYHLOFSKXTO-NCXUSEDFSA-N 2 2 358.530 2.954 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001103009880 1026873747 /nfs/dbraw/zinc/87/37/47/1026873747.db2.gz PIQOFWGEMOJKLW-QZTJIDSGSA-N 2 2 358.530 2.802 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001103009880 1026873754 /nfs/dbraw/zinc/87/37/54/1026873754.db2.gz PIQOFWGEMOJKLW-QZTJIDSGSA-N 2 2 358.530 2.802 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163346 1027020281 /nfs/dbraw/zinc/02/02/81/1027020281.db2.gz IYKJLQYPCATUJI-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163346 1027020288 /nfs/dbraw/zinc/02/02/88/1027020288.db2.gz IYKJLQYPCATUJI-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163346 1027020291 /nfs/dbraw/zinc/02/02/91/1027020291.db2.gz IYKJLQYPCATUJI-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163346 1027020299 /nfs/dbraw/zinc/02/02/99/1027020299.db2.gz IYKJLQYPCATUJI-BPQIPLTHSA-N 2 2 358.530 2.863 20 30 FFEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001104206369 1028663169 /nfs/dbraw/zinc/66/31/69/1028663169.db2.gz RYIDROYLACWXOB-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP Cc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(C#C[Si](C)(C)C)c1 ZINC001158259891 1029776253 /nfs/dbraw/zinc/77/62/53/1029776253.db2.gz BAKZGVOLZUAYHJ-GOSISDBHSA-N 2 2 356.590 2.621 20 30 FFEDLP Cc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(C#C[Si](C)(C)C)c1 ZINC001158259891 1029776256 /nfs/dbraw/zinc/77/62/56/1029776256.db2.gz BAKZGVOLZUAYHJ-GOSISDBHSA-N 2 2 356.590 2.621 20 30 FFEDLP N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158267198 1029780648 /nfs/dbraw/zinc/78/06/48/1029780648.db2.gz QRPUTKOFYUEDAC-CYBMUJFWSA-N 2 2 373.863 2.901 20 30 FFEDLP N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158267198 1029780656 /nfs/dbraw/zinc/78/06/56/1029780656.db2.gz QRPUTKOFYUEDAC-CYBMUJFWSA-N 2 2 373.863 2.901 20 30 FFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112183395 1030170163 /nfs/dbraw/zinc/17/01/63/1030170163.db2.gz HFAPVBPWASPESN-ZIAGYGMSSA-N 2 2 360.424 2.902 20 30 FFEDLP CC(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000799488088 1031782543 /nfs/dbraw/zinc/78/25/43/1031782543.db2.gz ASFCWPSJNKWZLJ-UHFFFAOYSA-N 2 2 362.493 2.852 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1ccccc1F ZINC001205626219 1031882994 /nfs/dbraw/zinc/88/29/94/1031882994.db2.gz ZWRZRKAKDCRNJL-PDOICOKGSA-N 2 2 368.456 2.813 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001205626219 1031883004 /nfs/dbraw/zinc/88/30/04/1031883004.db2.gz ZWRZRKAKDCRNJL-PDOICOKGSA-N 2 2 368.456 2.813 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205692206 1031941005 /nfs/dbraw/zinc/94/10/05/1031941005.db2.gz OFHOXRRTIQIJPK-IMFGXOCKSA-N 2 2 370.472 2.961 20 30 FFEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCCC1 ZINC001115737624 1031959875 /nfs/dbraw/zinc/95/98/75/1031959875.db2.gz QEHCHIOTPINOTB-HUUCEWRRSA-N 2 2 350.894 2.685 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001140113391 1035345266 /nfs/dbraw/zinc/34/52/66/1035345266.db2.gz YZDSVTKXFYRADL-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001140113391 1035345272 /nfs/dbraw/zinc/34/52/72/1035345272.db2.gz YZDSVTKXFYRADL-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001140113391 1035345278 /nfs/dbraw/zinc/34/52/78/1035345278.db2.gz YZDSVTKXFYRADL-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c2c1 ZINC001140113391 1035345282 /nfs/dbraw/zinc/34/52/82/1035345282.db2.gz YZDSVTKXFYRADL-KDURUIRLSA-N 2 2 357.461 2.998 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232263623 1035535667 /nfs/dbraw/zinc/53/56/67/1035535667.db2.gz UASGKJCGUSZVPF-UHFFFAOYSA-N 2 2 365.905 2.543 20 30 FFEDLP C=C[C@@](C)(O)C[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001252575932 1039600666 /nfs/dbraw/zinc/60/06/66/1039600666.db2.gz FXXYWOACTXSIOH-FGZHOGPDSA-N 2 2 354.494 2.576 20 30 FFEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001278691361 1039904234 /nfs/dbraw/zinc/90/42/34/1039904234.db2.gz DVHKKRBXLDZZEV-YQQQUEKLSA-N 2 2 351.498 2.686 20 30 FFEDLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001278691361 1039904248 /nfs/dbraw/zinc/90/42/48/1039904248.db2.gz DVHKKRBXLDZZEV-YQQQUEKLSA-N 2 2 351.498 2.686 20 30 FFEDLP N#Cc1cccc(C[C@@H]([NH3+])Cc2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001248154629 1040150958 /nfs/dbraw/zinc/15/09/58/1040150958.db2.gz HDEKQBAOXRJCSF-QGZVFWFLSA-N 2 2 370.416 2.906 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001262948229 1041982653 /nfs/dbraw/zinc/98/26/53/1041982653.db2.gz FHBWQYMYVJCYDX-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001262948229 1041982660 /nfs/dbraw/zinc/98/26/60/1041982660.db2.gz FHBWQYMYVJCYDX-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001263300894 1042228404 /nfs/dbraw/zinc/22/84/04/1042228404.db2.gz CNCJTMXVCPAPSB-MANSERQUSA-N 2 2 372.561 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001263300894 1042228408 /nfs/dbraw/zinc/22/84/08/1042228408.db2.gz CNCJTMXVCPAPSB-MANSERQUSA-N 2 2 372.561 2.787 20 30 FFEDLP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccc(C#N)c(F)c1 ZINC001266051785 1042892063 /nfs/dbraw/zinc/89/20/63/1042892063.db2.gz XZRMINCPYZTEPL-IAGOWNOFSA-N 2 2 369.444 2.552 20 30 FFEDLP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccc(C#N)c(F)c1 ZINC001266051785 1042892067 /nfs/dbraw/zinc/89/20/67/1042892067.db2.gz XZRMINCPYZTEPL-IAGOWNOFSA-N 2 2 369.444 2.552 20 30 FFEDLP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ccc(C#N)c(F)c1 ZINC001266051785 1042892072 /nfs/dbraw/zinc/89/20/72/1042892072.db2.gz XZRMINCPYZTEPL-IAGOWNOFSA-N 2 2 369.444 2.552 20 30 FFEDLP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ccc(C#N)c(F)c1 ZINC001266051785 1042892077 /nfs/dbraw/zinc/89/20/77/1042892077.db2.gz XZRMINCPYZTEPL-IAGOWNOFSA-N 2 2 369.444 2.552 20 30 FFEDLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3c(F)cc(C#N)cc3F)(C1)CCC2 ZINC001279391409 1043046821 /nfs/dbraw/zinc/04/68/21/1043046821.db2.gz CQEHCYHDIWWVPD-VQTJNVASSA-N 2 2 362.468 2.923 20 30 FFEDLP COC(=O)c1cccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C#N ZINC001319774792 1045268047 /nfs/dbraw/zinc/26/80/47/1045268047.db2.gz SVXNAMWXNFIYAG-OAHLLOKOSA-N 2 2 352.438 2.533 20 30 FFEDLP COC(=O)c1cccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C#N ZINC001319774792 1045268052 /nfs/dbraw/zinc/26/80/52/1045268052.db2.gz SVXNAMWXNFIYAG-OAHLLOKOSA-N 2 2 352.438 2.533 20 30 FFEDLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001316664673 1050478328 /nfs/dbraw/zinc/47/83/28/1050478328.db2.gz SSFGACUCLSNKDT-FUHWJXTLSA-N 2 2 370.884 2.532 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)CC3(O)CCCCC3)CC2)c1 ZINC001335412371 1053346137 /nfs/dbraw/zinc/34/61/37/1053346137.db2.gz HNOCEIOPNCOKAJ-OAQYLSRUSA-N 2 2 371.525 2.558 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC001351657658 1054941819 /nfs/dbraw/zinc/94/18/19/1054941819.db2.gz YPHVISHVJXCSPZ-UHFFFAOYSA-N 2 2 360.550 2.761 20 30 FFEDLP O=[N+]([O-])c1cc(C=[NH+]NCCCn2cc[nH+]c2)ccc1N1CCCCC1 ZINC000848419254 1059975041 /nfs/dbraw/zinc/97/50/41/1059975041.db2.gz SCVANTHUCBURLT-UHFFFAOYSA-N 2 2 356.430 2.795 20 30 FFEDLP N#Cc1ccc(NC(=O)CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC001580070074 1078744176 /nfs/dbraw/zinc/74/41/76/1078744176.db2.gz OBCGTVSGLSAMDO-WOJBJXKFSA-N 2 2 366.440 2.761 20 30 FFEDLP N#Cc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)s1 ZINC001568001245 1077065889 /nfs/dbraw/zinc/06/58/89/1077065889.db2.gz XIOSYXXJXNSWPE-HZPDHXFCSA-N 2 2 369.494 2.665 20 30 FFEDLP N#Cc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)s1 ZINC001568001245 1077065894 /nfs/dbraw/zinc/06/58/94/1077065894.db2.gz XIOSYXXJXNSWPE-HZPDHXFCSA-N 2 2 369.494 2.665 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000042535273 506632255 /nfs/dbraw/zinc/63/22/55/506632255.db2.gz HKODNABZCAWGIX-GOSISDBHSA-N 2 2 371.529 2.620 20 30 FFEDLP N#CCSCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000074989782 508076217 /nfs/dbraw/zinc/07/62/17/508076217.db2.gz YAEWHOWBYQLVDQ-IBGZPJMESA-N 2 2 373.570 2.562 20 30 FFEDLP N#CCSCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000074989782 508076219 /nfs/dbraw/zinc/07/62/19/508076219.db2.gz YAEWHOWBYQLVDQ-IBGZPJMESA-N 2 2 373.570 2.562 20 30 FFEDLP COc1cccc([C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[NH+](C)C)c1 ZINC000083029958 508233721 /nfs/dbraw/zinc/23/37/21/508233721.db2.gz MTQUCUQHGQUAIS-RTBURBONSA-N 2 2 368.481 2.726 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000106214813 508397841 /nfs/dbraw/zinc/39/78/41/508397841.db2.gz FNFZRZPLYMMMGS-IRXDYDNUSA-N 2 2 357.502 2.814 20 30 FFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000106214813 508397842 /nfs/dbraw/zinc/39/78/42/508397842.db2.gz FNFZRZPLYMMMGS-IRXDYDNUSA-N 2 2 357.502 2.814 20 30 FFEDLP CC[NH+]1CCN(c2cccc(NCc3c[nH+]c4ccc(C#N)cn34)c2)CC1 ZINC000191886204 509231555 /nfs/dbraw/zinc/23/15/55/509231555.db2.gz JNKIVWUPLBJVQS-UHFFFAOYSA-N 2 2 360.465 2.960 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173398563 509572758 /nfs/dbraw/zinc/57/27/58/509572758.db2.gz PJOLVZGFRKJOSI-MRXNPFEDSA-N 2 2 365.543 2.628 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000173527850 509641029 /nfs/dbraw/zinc/64/10/29/509641029.db2.gz HFNSTHLZMMRSLP-IEBWSBKVSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000173527850 509641037 /nfs/dbraw/zinc/64/10/37/509641037.db2.gz HFNSTHLZMMRSLP-IEBWSBKVSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000173527850 509641045 /nfs/dbraw/zinc/64/10/45/509641045.db2.gz HFNSTHLZMMRSLP-IEBWSBKVSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1C ZINC000173527850 509641050 /nfs/dbraw/zinc/64/10/50/509641050.db2.gz HFNSTHLZMMRSLP-IEBWSBKVSA-N 2 2 356.514 2.965 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245531517 509985587 /nfs/dbraw/zinc/98/55/87/509985587.db2.gz TVXGOMPIZRRAQH-QUCCMNQESA-N 2 2 354.498 2.717 20 30 FFEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245531517 509985594 /nfs/dbraw/zinc/98/55/94/509985594.db2.gz TVXGOMPIZRRAQH-QUCCMNQESA-N 2 2 354.498 2.717 20 30 FFEDLP N#Cc1ccc2[nH+]cc(CNc3ccc(CC[NH+]4CCOCC4)cc3)n2c1 ZINC000177555102 510132019 /nfs/dbraw/zinc/13/20/19/510132019.db2.gz DVYAZSSRPKSXAN-UHFFFAOYSA-N 2 2 361.449 2.693 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)NCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000171700503 510314489 /nfs/dbraw/zinc/31/44/89/510314489.db2.gz RKGLZEDFDATOHP-UHFFFAOYSA-N 2 2 355.486 2.684 20 30 FFEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C#N ZINC000266150699 510434877 /nfs/dbraw/zinc/43/48/77/510434877.db2.gz KGUYIFBUMPYUOD-NHCUHLMSSA-N 2 2 365.477 2.539 20 30 FFEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C#N ZINC000266150699 510434882 /nfs/dbraw/zinc/43/48/82/510434882.db2.gz KGUYIFBUMPYUOD-NHCUHLMSSA-N 2 2 365.477 2.539 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1OC ZINC000184765085 510507346 /nfs/dbraw/zinc/50/73/46/510507346.db2.gz PBJMVIJQYMOKIV-UHFFFAOYSA-N 2 2 354.454 2.681 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000172150985 510571733 /nfs/dbraw/zinc/57/17/33/510571733.db2.gz CSXGEVDOARGPMU-KRWDZBQOSA-N 2 2 366.456 2.517 20 30 FFEDLP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)CCC2 ZINC000263255772 510632418 /nfs/dbraw/zinc/63/24/18/510632418.db2.gz QQAHZFGWMRHJKU-OAQYLSRUSA-N 2 2 364.493 2.803 20 30 FFEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)CCC2 ZINC000263255772 510632420 /nfs/dbraw/zinc/63/24/20/510632420.db2.gz QQAHZFGWMRHJKU-OAQYLSRUSA-N 2 2 364.493 2.803 20 30 FFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000191482680 510681957 /nfs/dbraw/zinc/68/19/57/510681957.db2.gz NPNDGYCOIBXSFH-UHFFFAOYSA-N 2 2 357.458 2.878 20 30 FFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000191482680 510681960 /nfs/dbraw/zinc/68/19/60/510681960.db2.gz NPNDGYCOIBXSFH-UHFFFAOYSA-N 2 2 357.458 2.878 20 30 FFEDLP Cc1cccc(Cl)c1NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000270155873 510695547 /nfs/dbraw/zinc/69/55/47/510695547.db2.gz SMMZOMXCUJPRAL-UHFFFAOYSA-N 2 2 374.872 2.986 20 30 FFEDLP C[N@H+](CCOc1ccccc1C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326312 510710280 /nfs/dbraw/zinc/71/02/80/510710280.db2.gz LRDFSDGDCLHBBB-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[N@@H+](CCOc1ccccc1C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326312 510710289 /nfs/dbraw/zinc/71/02/89/510710289.db2.gz LRDFSDGDCLHBBB-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1ccccc1C#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188326312 510710298 /nfs/dbraw/zinc/71/02/98/510710298.db2.gz LRDFSDGDCLHBBB-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1ccccc1C#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188326312 510710305 /nfs/dbraw/zinc/71/03/05/510710305.db2.gz LRDFSDGDCLHBBB-JOCHJYFZSA-N 2 2 365.477 2.506 20 30 FFEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[C@@H](C[NH+]3CCCC3)C1)C2 ZINC000329943564 510883108 /nfs/dbraw/zinc/88/31/08/510883108.db2.gz HURCASBPKJWNDS-IRXDYDNUSA-N 2 2 373.545 2.827 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282096752 512073837 /nfs/dbraw/zinc/07/38/37/512073837.db2.gz PBDSLHJKLCISAM-MSOLQXFVSA-N 2 2 356.514 2.988 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282096752 512073843 /nfs/dbraw/zinc/07/38/43/512073843.db2.gz PBDSLHJKLCISAM-MSOLQXFVSA-N 2 2 356.514 2.988 20 30 FFEDLP C=CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369964071 512702617 /nfs/dbraw/zinc/70/26/17/512702617.db2.gz JWTSYAONEHPBKB-SFTDATJTSA-N 2 2 355.526 2.973 20 30 FFEDLP C=CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369964071 512702621 /nfs/dbraw/zinc/70/26/21/512702621.db2.gz JWTSYAONEHPBKB-SFTDATJTSA-N 2 2 355.526 2.973 20 30 FFEDLP N#CC1(NC(=O)c2ccc3[nH+]ccn3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000374877449 513051271 /nfs/dbraw/zinc/05/12/71/513051271.db2.gz POYIFKKULIDZIJ-UHFFFAOYSA-N 2 2 359.433 2.622 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)C ZINC000489346961 514806904 /nfs/dbraw/zinc/80/69/04/514806904.db2.gz WTBRZJJDZLWUEF-LJQANCHMSA-N 2 2 353.470 2.696 20 30 FFEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3nc4c(cc3C#N)CCCC4)CC2)CC1 ZINC000500279539 515655150 /nfs/dbraw/zinc/65/51/50/515655150.db2.gz KZFFLFRRJPATBR-UHFFFAOYSA-N 2 2 367.541 2.827 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C(C)C ZINC000512334449 516243845 /nfs/dbraw/zinc/24/38/45/516243845.db2.gz SBEXTOMHRMMLAO-AQNXPRMDSA-N 2 2 370.541 2.969 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000531381075 516438166 /nfs/dbraw/zinc/43/81/66/516438166.db2.gz YDBJDOJACYIJFK-UHFFFAOYSA-N 2 2 358.438 2.968 20 30 FFEDLP CC(C)[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000519090572 516880600 /nfs/dbraw/zinc/88/06/00/516880600.db2.gz USLDGTVIRLKDEU-OAQYLSRUSA-N 2 2 368.525 2.713 20 30 FFEDLP C=CCOCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000555524484 516952350 /nfs/dbraw/zinc/95/23/50/516952350.db2.gz MHHNDPVORUKGSI-UHFFFAOYSA-N 2 2 354.248 2.943 20 30 FFEDLP C=CCOCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000555524484 516952357 /nfs/dbraw/zinc/95/23/57/516952357.db2.gz MHHNDPVORUKGSI-UHFFFAOYSA-N 2 2 354.248 2.943 20 30 FFEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(C#N)cc1 ZINC000549162752 517431822 /nfs/dbraw/zinc/43/18/22/517431822.db2.gz UCMQPILKJWEDBV-INIZCTEOSA-N 2 2 368.506 2.615 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560045290 517550776 /nfs/dbraw/zinc/55/07/76/517550776.db2.gz QWLWUSIVIAPTSR-MRXNPFEDSA-N 2 2 355.486 2.689 20 30 FFEDLP CC[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(C#N)cc1 ZINC000567013032 518309687 /nfs/dbraw/zinc/30/96/87/518309687.db2.gz GUURFBIHPYMZGF-ZWKOTPCHSA-N 2 2 351.454 2.524 20 30 FFEDLP CC[C@H](CC#N)[NH2+]CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000575999257 518382622 /nfs/dbraw/zinc/38/26/22/518382622.db2.gz CYJWJOSZHFADHU-UYAOXDASSA-N 2 2 372.513 2.620 20 30 FFEDLP C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000578870722 518415236 /nfs/dbraw/zinc/41/52/36/518415236.db2.gz AYLOGQXVGJITRR-ZDUSSCGKSA-N 2 2 359.474 2.756 20 30 FFEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nc1 ZINC000579070762 518504288 /nfs/dbraw/zinc/50/42/88/518504288.db2.gz RVMUGVBHLOBELX-MRXNPFEDSA-N 2 2 351.435 2.854 20 30 FFEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nc1 ZINC000579070762 518504294 /nfs/dbraw/zinc/50/42/94/518504294.db2.gz RVMUGVBHLOBELX-MRXNPFEDSA-N 2 2 351.435 2.854 20 30 FFEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCOc3ccc(C#N)cc3)c2cc1C ZINC000576512220 518628053 /nfs/dbraw/zinc/62/80/53/518628053.db2.gz QHJMPAYNXJDTOF-GOSISDBHSA-N 2 2 364.449 2.554 20 30 FFEDLP N#Cc1cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)cnc1C(F)(F)F ZINC000570871604 518819328 /nfs/dbraw/zinc/81/93/28/518819328.db2.gz JICXYRNGBPKGQS-UHFFFAOYSA-N 2 2 358.283 2.805 20 30 FFEDLP N#C[C@H]1CC[C@H]([NH2+]CC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)C1 ZINC000574998476 519444076 /nfs/dbraw/zinc/44/40/76/519444076.db2.gz PJVOKKDXXJQTSH-PMACEKPBSA-N 2 2 368.525 2.640 20 30 FFEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911361 519966064 /nfs/dbraw/zinc/96/60/64/519966064.db2.gz YMEGKBTYEGIOGR-OAQYLSRUSA-N 2 2 364.493 2.626 20 30 FFEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911361 519966073 /nfs/dbraw/zinc/96/60/73/519966073.db2.gz YMEGKBTYEGIOGR-OAQYLSRUSA-N 2 2 364.493 2.626 20 30 FFEDLP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439541 519967108 /nfs/dbraw/zinc/96/71/08/519967108.db2.gz RQHXNMFHIFCLNU-YJBOKZPZSA-N 2 2 362.905 2.956 20 30 FFEDLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000600722807 520423997 /nfs/dbraw/zinc/42/39/97/520423997.db2.gz URBPLJBJEKZVBO-NHCUHLMSSA-N 2 2 371.525 2.793 20 30 FFEDLP Cc1ccc([C@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)[NH+]2CCCC2)cc1 ZINC000600722809 520424806 /nfs/dbraw/zinc/42/48/06/520424806.db2.gz URBPLJBJEKZVBO-RTWAWAEBSA-N 2 2 371.525 2.793 20 30 FFEDLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)COc1ccccc1C#N)[NH+](C)C ZINC000600733655 520434487 /nfs/dbraw/zinc/43/44/87/520434487.db2.gz LJKRGPDTRVJUIF-JLMWRMLUSA-N 2 2 367.493 2.887 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610390829 520660875 /nfs/dbraw/zinc/66/08/75/520660875.db2.gz VTZFQJVMQPNHOW-OAHLLOKOSA-N 2 2 355.467 2.774 20 30 FFEDLP N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610390829 520660880 /nfs/dbraw/zinc/66/08/80/520660880.db2.gz VTZFQJVMQPNHOW-OAHLLOKOSA-N 2 2 355.467 2.774 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCN3CC(F)F)CC2)cc1 ZINC000598989031 520961929 /nfs/dbraw/zinc/96/19/29/520961929.db2.gz YGOWXUBAQMUVMY-LJQANCHMSA-N 2 2 362.468 2.842 20 30 FFEDLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(F)c3C#N)[nH+]c2)CC1 ZINC000602009845 521075982 /nfs/dbraw/zinc/07/59/82/521075982.db2.gz CKNGPFGQVWXNJL-UHFFFAOYSA-N 2 2 353.445 2.657 20 30 FFEDLP C=CCOc1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607366180 521341096 /nfs/dbraw/zinc/34/10/96/521341096.db2.gz AELIDKHASRRBIT-QFIPXVFZSA-N 2 2 352.478 2.978 20 30 FFEDLP C=CCOc1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366180 521341109 /nfs/dbraw/zinc/34/11/09/521341109.db2.gz AELIDKHASRRBIT-QFIPXVFZSA-N 2 2 352.478 2.978 20 30 FFEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602456833 521357960 /nfs/dbraw/zinc/35/79/60/521357960.db2.gz YZPZARCTKIMBQK-WOJBJXKFSA-N 2 2 355.530 2.855 20 30 FFEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000602456833 521357968 /nfs/dbraw/zinc/35/79/68/521357968.db2.gz YZPZARCTKIMBQK-WOJBJXKFSA-N 2 2 355.530 2.855 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001164815012 720153416 /nfs/dbraw/zinc/15/34/16/720153416.db2.gz GMZHNCGJFJRURD-UWJYYQICSA-N 2 2 365.481 2.619 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001164815012 720153419 /nfs/dbraw/zinc/15/34/19/720153419.db2.gz GMZHNCGJFJRURD-UWJYYQICSA-N 2 2 365.481 2.619 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)ccc1CC#N)C2 ZINC001164815087 720175417 /nfs/dbraw/zinc/17/54/17/720175417.db2.gz IABAGXKWBSCFPW-PZJWPPBQSA-N 2 2 354.498 2.641 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)ccc1CC#N)C2 ZINC001164815087 720175420 /nfs/dbraw/zinc/17/54/20/720175420.db2.gz IABAGXKWBSCFPW-PZJWPPBQSA-N 2 2 354.498 2.641 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(CC#N)c(C)[nH+]1)C2 ZINC001164817455 720175597 /nfs/dbraw/zinc/17/55/97/720175597.db2.gz PLXKAUPAYBZYKK-FPOVZHCZSA-N 2 2 354.498 2.641 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(CC#N)c(C)[nH+]1)C2 ZINC001164817455 720175598 /nfs/dbraw/zinc/17/55/98/720175598.db2.gz PLXKAUPAYBZYKK-FPOVZHCZSA-N 2 2 354.498 2.641 20 30 FFEDLP C#CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000763950014 736981089 /nfs/dbraw/zinc/98/10/89/736981089.db2.gz PAQPHNCBUJLARF-IBGZPJMESA-N 2 2 359.901 2.691 20 30 FFEDLP C#CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000763950014 736981091 /nfs/dbraw/zinc/98/10/91/736981091.db2.gz PAQPHNCBUJLARF-IBGZPJMESA-N 2 2 359.901 2.691 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033443141 742892888 /nfs/dbraw/zinc/89/28/88/742892888.db2.gz VJANLHXYZBZUOA-QRVBRYPASA-N 2 2 361.917 2.617 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033443141 742892897 /nfs/dbraw/zinc/89/28/97/742892897.db2.gz VJANLHXYZBZUOA-QRVBRYPASA-N 2 2 361.917 2.617 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033443141 742892907 /nfs/dbraw/zinc/89/29/07/742892907.db2.gz VJANLHXYZBZUOA-QRVBRYPASA-N 2 2 361.917 2.617 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033443141 742892916 /nfs/dbraw/zinc/89/29/16/742892916.db2.gz VJANLHXYZBZUOA-QRVBRYPASA-N 2 2 361.917 2.617 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112090502 971668251 /nfs/dbraw/zinc/66/82/51/971668251.db2.gz JTRLLSZEPGKXNQ-BFHYXJOUSA-N 2 2 358.408 2.676 20 30 FFEDLP C=C(C)[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000664702429 964986182 /nfs/dbraw/zinc/98/61/82/964986182.db2.gz USABPSYDTOYDDT-GOSISDBHSA-N 2 2 368.472 2.765 20 30 FFEDLP C=C(C)[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000664702429 964986190 /nfs/dbraw/zinc/98/61/90/964986190.db2.gz USABPSYDTOYDDT-GOSISDBHSA-N 2 2 368.472 2.765 20 30 FFEDLP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261958927 965061868 /nfs/dbraw/zinc/06/18/68/965061868.db2.gz JNVRTRYNLFYSJL-GRDNDAEWSA-N 2 2 358.490 2.750 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C)[C@@H]1CC ZINC001087607037 968341389 /nfs/dbraw/zinc/34/13/89/968341389.db2.gz HFDBERWZVAHINM-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C)[C@@H]1CC ZINC001087607037 968341395 /nfs/dbraw/zinc/34/13/95/968341395.db2.gz HFDBERWZVAHINM-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C)[C@@H]1CC ZINC001087607037 968341402 /nfs/dbraw/zinc/34/14/02/968341402.db2.gz HFDBERWZVAHINM-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C)[C@@H]1CC ZINC001087607037 968341410 /nfs/dbraw/zinc/34/14/10/968341410.db2.gz HFDBERWZVAHINM-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1ccccc1 ZINC001211640348 969527422 /nfs/dbraw/zinc/52/74/22/969527422.db2.gz SRHVBGWJJHCRHH-VQTJNVASSA-N 2 2 366.509 2.903 20 30 FFEDLP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665389878 970634168 /nfs/dbraw/zinc/63/41/68/970634168.db2.gz RBUNVMDYFWYWDN-HOJAQTOUSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665389878 970634178 /nfs/dbraw/zinc/63/41/78/970634178.db2.gz RBUNVMDYFWYWDN-HOJAQTOUSA-N 2 2 362.562 2.931 20 30 FFEDLP Cc1cn(C(C)(C)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000895526733 970700370 /nfs/dbraw/zinc/70/03/70/970700370.db2.gz QQPYXBVLAYITII-UHFFFAOYSA-N 2 2 365.481 2.533 20 30 FFEDLP Cc1cn(C(C)(C)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000895526733 970700375 /nfs/dbraw/zinc/70/03/75/970700375.db2.gz QQPYXBVLAYITII-UHFFFAOYSA-N 2 2 365.481 2.533 20 30 FFEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000876750942 1014378237 /nfs/dbraw/zinc/37/82/37/1014378237.db2.gz KSXLBLOBDHAQDK-CQSZACIVSA-N 2 2 372.860 2.732 20 30 FFEDLP CC[NH+]=C(NCc1cccc2c1OCO2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159983883 979482067 /nfs/dbraw/zinc/48/20/67/979482067.db2.gz AJBJQSSDLQJOHN-DOTOQJQBSA-N 2 2 369.469 2.660 20 30 FFEDLP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001105440002 980414453 /nfs/dbraw/zinc/41/44/53/980414453.db2.gz ZISWJXZYXHHASF-YXTQBTIXSA-N 2 2 364.493 2.516 20 30 FFEDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000185761164 984018064 /nfs/dbraw/zinc/01/80/64/984018064.db2.gz NDYHPTWPEWNYLV-RTBURBONSA-N 2 2 356.514 2.879 20 30 FFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCOc2cccc(C#N)c2)cc1 ZINC000763183132 989182233 /nfs/dbraw/zinc/18/22/33/989182233.db2.gz MVGQACUIQMYJJU-UHFFFAOYSA-N 2 2 352.438 2.726 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000134878431 991338839 /nfs/dbraw/zinc/33/88/39/991338839.db2.gz XQINITVBQONRJI-UIFIKXQLSA-N 2 2 364.493 2.612 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000134878431 991338840 /nfs/dbraw/zinc/33/88/40/991338840.db2.gz XQINITVBQONRJI-UIFIKXQLSA-N 2 2 364.493 2.612 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000134878431 991338843 /nfs/dbraw/zinc/33/88/43/991338843.db2.gz XQINITVBQONRJI-UIFIKXQLSA-N 2 2 364.493 2.612 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000134878431 991338845 /nfs/dbraw/zinc/33/88/45/991338845.db2.gz XQINITVBQONRJI-UIFIKXQLSA-N 2 2 364.493 2.612 20 30 FFEDLP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962335 992601199 /nfs/dbraw/zinc/60/11/99/992601199.db2.gz DNTRYGXEBNHTLJ-IIBYNOLFSA-N 2 2 358.445 2.665 20 30 FFEDLP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962335 992601203 /nfs/dbraw/zinc/60/12/03/992601203.db2.gz DNTRYGXEBNHTLJ-IIBYNOLFSA-N 2 2 358.445 2.665 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001081153941 993703938 /nfs/dbraw/zinc/70/39/38/993703938.db2.gz MVESOCORDMYJND-ZWKOTPCHSA-N 2 2 358.873 2.610 20 30 FFEDLP CCCC[N@H+](C)C[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000811625980 995196483 /nfs/dbraw/zinc/19/64/83/995196483.db2.gz ZVTKPYSXAGJXSF-OAHLLOKOSA-N 2 2 369.513 2.767 20 30 FFEDLP CCCC[N@@H+](C)C[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000811625980 995196487 /nfs/dbraw/zinc/19/64/87/995196487.db2.gz ZVTKPYSXAGJXSF-OAHLLOKOSA-N 2 2 369.513 2.767 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479363 1016001060 /nfs/dbraw/zinc/00/10/60/1016001060.db2.gz JTZZUKMXGRKIDJ-ZRNYENFQSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479363 1016001072 /nfs/dbraw/zinc/00/10/72/1016001072.db2.gz JTZZUKMXGRKIDJ-ZRNYENFQSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084676173 996818168 /nfs/dbraw/zinc/81/81/68/996818168.db2.gz WIMZQKLVLXAXRC-YSTOQKLRSA-N 2 2 373.928 2.617 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084676173 996818172 /nfs/dbraw/zinc/81/81/72/996818172.db2.gz WIMZQKLVLXAXRC-YSTOQKLRSA-N 2 2 373.928 2.617 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084676173 996818182 /nfs/dbraw/zinc/81/81/82/996818182.db2.gz WIMZQKLVLXAXRC-YSTOQKLRSA-N 2 2 373.928 2.617 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084676173 996818195 /nfs/dbraw/zinc/81/81/95/996818195.db2.gz WIMZQKLVLXAXRC-YSTOQKLRSA-N 2 2 373.928 2.617 20 30 FFEDLP CN(C(=O)c1ccccc1SCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559272 998701363 /nfs/dbraw/zinc/70/13/63/998701363.db2.gz KEMBQWYRUQKJHS-KRWDZBQOSA-N 2 2 372.538 2.543 20 30 FFEDLP CN(C(=O)c1ccccc1SCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559272 998701366 /nfs/dbraw/zinc/70/13/66/998701366.db2.gz KEMBQWYRUQKJHS-KRWDZBQOSA-N 2 2 372.538 2.543 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000736246487 999549531 /nfs/dbraw/zinc/54/95/31/999549531.db2.gz GZTVVEZADTVWGZ-IBGZPJMESA-N 2 2 355.482 2.506 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000736246487 999549536 /nfs/dbraw/zinc/54/95/36/999549536.db2.gz GZTVVEZADTVWGZ-IBGZPJMESA-N 2 2 355.482 2.506 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001109687143 1000849670 /nfs/dbraw/zinc/84/96/70/1000849670.db2.gz VBUMWMVSBWPQFZ-BTHPGYMESA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001109687143 1000849676 /nfs/dbraw/zinc/84/96/76/1000849676.db2.gz VBUMWMVSBWPQFZ-BTHPGYMESA-N 2 2 372.488 2.505 20 30 FFEDLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001110016143 1001309417 /nfs/dbraw/zinc/30/94/17/1001309417.db2.gz AGMVPSWROLHGES-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(Cl)cc1 ZINC001110016143 1001309423 /nfs/dbraw/zinc/30/94/23/1001309423.db2.gz AGMVPSWROLHGES-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110016143 1001309429 /nfs/dbraw/zinc/30/94/29/1001309429.db2.gz AGMVPSWROLHGES-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001110016143 1001309436 /nfs/dbraw/zinc/30/94/36/1001309436.db2.gz AGMVPSWROLHGES-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn3cccc(C)c3[nH+]1)C2 ZINC001112545683 1001447777 /nfs/dbraw/zinc/44/77/77/1001447777.db2.gz XPUUULIVIXDVMQ-AVRDEDQJSA-N 2 2 366.509 2.980 20 30 FFEDLP CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790372007 1002360297 /nfs/dbraw/zinc/36/02/97/1002360297.db2.gz RMRAMOQZEGWNCM-NRFANRHFSA-N 2 2 368.481 2.643 20 30 FFEDLP CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790372007 1002360308 /nfs/dbraw/zinc/36/03/08/1002360308.db2.gz RMRAMOQZEGWNCM-NRFANRHFSA-N 2 2 368.481 2.643 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@]2(C)C1 ZINC001092160118 1002446008 /nfs/dbraw/zinc/44/60/08/1002446008.db2.gz YVUJIWCMJDGKTF-NQIIRXRSSA-N 2 2 350.466 2.842 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@]2(C)C1 ZINC001092160118 1002446012 /nfs/dbraw/zinc/44/60/12/1002446012.db2.gz YVUJIWCMJDGKTF-NQIIRXRSSA-N 2 2 350.466 2.842 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086595411 1002599831 /nfs/dbraw/zinc/59/98/31/1002599831.db2.gz ABGXHMDXWODKQT-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086595411 1002599841 /nfs/dbraw/zinc/59/98/41/1002599841.db2.gz ABGXHMDXWODKQT-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086596223 1002621952 /nfs/dbraw/zinc/62/19/52/1002621952.db2.gz QTRCVSQWFUVNQK-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086596223 1002621958 /nfs/dbraw/zinc/62/19/58/1002621958.db2.gz QTRCVSQWFUVNQK-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186202970 1003222127 /nfs/dbraw/zinc/22/21/27/1003222127.db2.gz BTSMNMUNFMOYMV-IEBWSBKVSA-N 2 2 370.472 2.889 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186202970 1003222135 /nfs/dbraw/zinc/22/21/35/1003222135.db2.gz BTSMNMUNFMOYMV-IEBWSBKVSA-N 2 2 370.472 2.889 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCCC1 ZINC001095556509 1016752843 /nfs/dbraw/zinc/75/28/43/1016752843.db2.gz VODJMCGMIHSVTJ-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCCC1 ZINC001095556509 1016752860 /nfs/dbraw/zinc/75/28/60/1016752860.db2.gz VODJMCGMIHSVTJ-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001095556509 1016752871 /nfs/dbraw/zinc/75/28/71/1016752871.db2.gz VODJMCGMIHSVTJ-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCC1CCCC1 ZINC001095556509 1016752893 /nfs/dbraw/zinc/75/28/93/1016752893.db2.gz VODJMCGMIHSVTJ-ANULTFPQSA-N 2 2 357.542 2.776 20 30 FFEDLP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856597690 1007907704 /nfs/dbraw/zinc/90/77/04/1007907704.db2.gz KVCKJRMXGBVMRA-PXNSSMCTSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856597690 1007907712 /nfs/dbraw/zinc/90/77/12/1007907712.db2.gz KVCKJRMXGBVMRA-PXNSSMCTSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856597690 1007907719 /nfs/dbraw/zinc/90/77/19/1007907719.db2.gz KVCKJRMXGBVMRA-PXNSSMCTSA-N 2 2 355.486 2.818 20 30 FFEDLP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856597690 1007907727 /nfs/dbraw/zinc/90/77/27/1007907727.db2.gz KVCKJRMXGBVMRA-PXNSSMCTSA-N 2 2 355.486 2.818 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C#N)ccc1F ZINC001110736536 1008213316 /nfs/dbraw/zinc/21/33/16/1008213316.db2.gz BLOQNXZJGXDURY-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C#N)ccc1F ZINC001110736536 1008213323 /nfs/dbraw/zinc/21/33/23/1008213323.db2.gz BLOQNXZJGXDURY-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001110736536 1008213330 /nfs/dbraw/zinc/21/33/30/1008213330.db2.gz BLOQNXZJGXDURY-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001110736536 1008213339 /nfs/dbraw/zinc/21/33/39/1008213339.db2.gz BLOQNXZJGXDURY-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001110742544 1008337526 /nfs/dbraw/zinc/33/75/26/1008337526.db2.gz KMYBAKJAOMMGJV-MKXGPGLRSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001110742544 1008337530 /nfs/dbraw/zinc/33/75/30/1008337530.db2.gz KMYBAKJAOMMGJV-MKXGPGLRSA-N 2 2 356.514 2.913 20 30 FFEDLP Cc1[nH]c(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)[nH+]c1C ZINC000886669888 1008805288 /nfs/dbraw/zinc/80/52/88/1008805288.db2.gz GHUMAFQFHBQQOX-UHFFFAOYSA-N 2 2 357.502 2.891 20 30 FFEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC001094417417 1011102819 /nfs/dbraw/zinc/10/28/19/1011102819.db2.gz ZNWDSZZGXGPZHF-JPAWQOSXSA-N 2 2 368.525 2.701 20 30 FFEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC001094417417 1011102822 /nfs/dbraw/zinc/10/28/22/1011102822.db2.gz ZNWDSZZGXGPZHF-JPAWQOSXSA-N 2 2 368.525 2.701 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC001094451471 1011140876 /nfs/dbraw/zinc/14/08/76/1011140876.db2.gz WEXQLGGAICUHLJ-OZOXKJRCSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC001094451471 1011140879 /nfs/dbraw/zinc/14/08/79/1011140879.db2.gz WEXQLGGAICUHLJ-OZOXKJRCSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC001094451471 1011140881 /nfs/dbraw/zinc/14/08/81/1011140881.db2.gz WEXQLGGAICUHLJ-OZOXKJRCSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC001094451471 1011140886 /nfs/dbraw/zinc/14/08/86/1011140886.db2.gz WEXQLGGAICUHLJ-OZOXKJRCSA-N 2 2 356.514 2.760 20 30 FFEDLP N#CCC1CCC([NH+]2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC1 ZINC001173331959 1012445678 /nfs/dbraw/zinc/44/56/78/1012445678.db2.gz FZPTVXMPISWWIJ-UHFFFAOYSA-N 2 2 354.498 2.569 20 30 FFEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303876050 1012477926 /nfs/dbraw/zinc/47/79/26/1012477926.db2.gz DORKCFMCICDTQX-QAPCUYQASA-N 2 2 372.538 2.787 20 30 FFEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303876050 1012477941 /nfs/dbraw/zinc/47/79/41/1012477941.db2.gz DORKCFMCICDTQX-QAPCUYQASA-N 2 2 372.538 2.787 20 30 FFEDLP [NH2+]=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)NC1CCCCC1 ZINC000303903490 1012513073 /nfs/dbraw/zinc/51/30/73/1012513073.db2.gz ULYATMHERFTRKN-UHFFFAOYSA-N 2 2 371.573 2.821 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000304673097 1012814914 /nfs/dbraw/zinc/81/49/14/1012814914.db2.gz CKRWXEBCJMHMET-UHFFFAOYSA-N 2 2 360.433 2.702 20 30 FFEDLP COc1ccc(OC)c(NC(=[NH2+])NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000304673097 1012814927 /nfs/dbraw/zinc/81/49/27/1012814927.db2.gz CKRWXEBCJMHMET-UHFFFAOYSA-N 2 2 360.433 2.702 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001110992065 1020041581 /nfs/dbraw/zinc/04/15/81/1020041581.db2.gz MXOFNVIQXXAKAC-RSPOEFSDSA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001110992065 1020041589 /nfs/dbraw/zinc/04/15/89/1020041589.db2.gz MXOFNVIQXXAKAC-RSPOEFSDSA-N 2 2 372.488 2.505 20 30 FFEDLP C#CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001120500530 1023342242 /nfs/dbraw/zinc/34/22/42/1023342242.db2.gz OSZQZISZBPERMK-UHFFFAOYSA-N 2 2 353.388 2.721 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001101244224 1024173138 /nfs/dbraw/zinc/17/31/38/1024173138.db2.gz CWWZDLPIGRUFQS-SVMVAKDDSA-N 2 2 370.541 2.897 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001101244224 1024173145 /nfs/dbraw/zinc/17/31/45/1024173145.db2.gz CWWZDLPIGRUFQS-SVMVAKDDSA-N 2 2 370.541 2.897 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101283016 1024319321 /nfs/dbraw/zinc/31/93/21/1024319321.db2.gz OSFYGEULRJZPHW-JQVVWYNYSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101283016 1024319336 /nfs/dbraw/zinc/31/93/36/1024319336.db2.gz OSFYGEULRJZPHW-JQVVWYNYSA-N 2 2 370.541 2.972 20 30 FFEDLP CC[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245698861 1025501732 /nfs/dbraw/zinc/50/17/32/1025501732.db2.gz XGUIRSGCVFNOAR-WDSOQIARSA-N 2 2 361.534 2.673 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001103271487 1027137395 /nfs/dbraw/zinc/13/73/95/1027137395.db2.gz QSTSVBQHYCAHGI-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001103271487 1027137401 /nfs/dbraw/zinc/13/74/01/1027137401.db2.gz QSTSVBQHYCAHGI-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001103271487 1027137405 /nfs/dbraw/zinc/13/74/05/1027137405.db2.gz QSTSVBQHYCAHGI-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC001103271487 1027137410 /nfs/dbraw/zinc/13/74/10/1027137410.db2.gz QSTSVBQHYCAHGI-AQNXPRMDSA-N 2 2 365.562 2.528 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425759 1027454542 /nfs/dbraw/zinc/45/45/42/1027454542.db2.gz ODEAHFWRULJREB-BPLDGKMQSA-N 2 2 350.894 2.656 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001103425759 1027454550 /nfs/dbraw/zinc/45/45/50/1027454550.db2.gz ODEAHFWRULJREB-BPLDGKMQSA-N 2 2 350.894 2.656 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112171688 1030141600 /nfs/dbraw/zinc/14/16/00/1030141600.db2.gz UUEOREAVUAFYNA-RRFJBIMHSA-N 2 2 358.408 2.779 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001221914328 1035152972 /nfs/dbraw/zinc/15/29/72/1035152972.db2.gz SYTCFHPDXWMDBK-SQGPQFPESA-N 2 2 365.481 2.768 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC001221914328 1035152976 /nfs/dbraw/zinc/15/29/76/1035152976.db2.gz SYTCFHPDXWMDBK-SQGPQFPESA-N 2 2 365.481 2.768 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(C#N)ccc4Cl)C[C@@H]3C2)cn1 ZINC001140599300 1035699524 /nfs/dbraw/zinc/69/95/24/1035699524.db2.gz WTKJXNJZYQSJLK-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(C#N)ccc4Cl)C[C@@H]3C2)cn1 ZINC001140599300 1035699532 /nfs/dbraw/zinc/69/95/32/1035699532.db2.gz WTKJXNJZYQSJLK-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(C#N)ccc4Cl)C[C@@H]3C2)cn1 ZINC001140599300 1035699542 /nfs/dbraw/zinc/69/95/42/1035699542.db2.gz WTKJXNJZYQSJLK-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(C#N)ccc4Cl)C[C@@H]3C2)cn1 ZINC001140599300 1035699547 /nfs/dbraw/zinc/69/95/47/1035699547.db2.gz WTKJXNJZYQSJLK-MJGOQNOKSA-N 2 2 369.900 2.899 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCCn2cc[nH+]c2)cc1 ZINC001230344483 1037239424 /nfs/dbraw/zinc/23/94/24/1037239424.db2.gz WOVUYJXFDXASDV-WOJBJXKFSA-N 2 2 365.481 2.752 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@H+](C[C@H]4CCCC[NH2+]4)C3)C2)c1 ZINC001235635243 1037655091 /nfs/dbraw/zinc/65/50/91/1037655091.db2.gz HMEONLWEVQSJAY-IFMALSPDSA-N 2 2 368.525 2.619 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@@]3(CCC[N@@H+](C[C@H]4CCCC[NH2+]4)C3)C2)c1 ZINC001235635243 1037655098 /nfs/dbraw/zinc/65/50/98/1037655098.db2.gz HMEONLWEVQSJAY-IFMALSPDSA-N 2 2 368.525 2.619 20 30 FFEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001252473091 1039548632 /nfs/dbraw/zinc/54/86/32/1039548632.db2.gz GOTFJTKJGIXCMF-IBGZPJMESA-N 2 2 352.906 2.800 20 30 FFEDLP C=CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001252473091 1039548635 /nfs/dbraw/zinc/54/86/35/1039548635.db2.gz GOTFJTKJGIXCMF-IBGZPJMESA-N 2 2 352.906 2.800 20 30 FFEDLP CC[C@H](CC#N)[NH+]1CCC2(CN(C(=O)C[NH+](C)C)c3ccc(C)cc32)CC1 ZINC001255169307 1041180325 /nfs/dbraw/zinc/18/03/25/1041180325.db2.gz DFCSKELNPSJLOV-GOSISDBHSA-N 2 2 368.525 2.929 20 30 FFEDLP C=CCCCC[N@@H+]1CCc2[nH]nc(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001279720346 1043525980 /nfs/dbraw/zinc/52/59/80/1043525980.db2.gz UZGJTGFEEMARDD-UHFFFAOYSA-N 2 2 361.534 2.538 20 30 FFEDLP C=CCCCC[N@H+]1CCc2[nH]nc(C(=O)N(C)CC[NH+](CC)CC)c2C1 ZINC001279720346 1043525991 /nfs/dbraw/zinc/52/59/91/1043525991.db2.gz UZGJTGFEEMARDD-UHFFFAOYSA-N 2 2 361.534 2.538 20 30 FFEDLP CCc1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)ccc1C#N ZINC001238760705 1043875129 /nfs/dbraw/zinc/87/51/29/1043875129.db2.gz OHFKQNPCLCNGNA-JOCHJYFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)ccc1C#N ZINC001238760705 1043875140 /nfs/dbraw/zinc/87/51/40/1043875140.db2.gz OHFKQNPCLCNGNA-JOCHJYFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CCOC)C3)ccc1C#N ZINC001238760705 1043875160 /nfs/dbraw/zinc/87/51/60/1043875160.db2.gz OHFKQNPCLCNGNA-JOCHJYFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)ccc1C#N ZINC001238760705 1043875173 /nfs/dbraw/zinc/87/51/73/1043875173.db2.gz OHFKQNPCLCNGNA-JOCHJYFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCCC[C@H](CC)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC#N)CC3)[C@H]2C1 ZINC001280181410 1044363373 /nfs/dbraw/zinc/36/33/73/1044363373.db2.gz OGLIYYWAGHYDBR-FHWLQOOXSA-N 2 2 360.546 2.629 20 30 FFEDLP CCCC[C@H](CC)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC#N)CC3)[C@H]2C1 ZINC001280181410 1044363387 /nfs/dbraw/zinc/36/33/87/1044363387.db2.gz OGLIYYWAGHYDBR-FHWLQOOXSA-N 2 2 360.546 2.629 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001342226022 1050816643 /nfs/dbraw/zinc/81/66/43/1050816643.db2.gz TZXJXVHIGGZVSZ-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CCNc3ncccc3C#N)CC2)cc1 ZINC001343648041 1052354978 /nfs/dbraw/zinc/35/49/78/1052354978.db2.gz UDGGTLOELXGVMT-UHFFFAOYSA-N 2 2 364.497 2.690 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001351656448 1054941867 /nfs/dbraw/zinc/94/18/67/1054941867.db2.gz GXOLUQXFOQPJKV-UHFFFAOYSA-N 2 2 372.561 2.905 20 30 FFEDLP N#Cc1c(F)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001357166032 1055801412 /nfs/dbraw/zinc/80/14/12/1055801412.db2.gz KAAMDCPBEJIHLT-FQEVSTJZSA-N 2 2 357.404 2.563 20 30 FFEDLP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001506926436 1059576859 /nfs/dbraw/zinc/57/68/59/1059576859.db2.gz HFXPLVOBPKALMU-IAOVAPTHSA-N 2 2 369.444 2.599 20 30 FFEDLP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001506926436 1059576877 /nfs/dbraw/zinc/57/68/77/1059576877.db2.gz HFXPLVOBPKALMU-IAOVAPTHSA-N 2 2 369.444 2.599 20 30 FFEDLP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(F)c1 ZINC001508239118 1059833394 /nfs/dbraw/zinc/83/33/94/1059833394.db2.gz DTPMHJKEPQFEOT-IAGOWNOFSA-N 2 2 356.445 2.645 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001479669687 1062772920 /nfs/dbraw/zinc/77/29/20/1062772920.db2.gz MAXFWRKCGPQFAM-ZCNNSNEGSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001479669687 1062772940 /nfs/dbraw/zinc/77/29/40/1062772940.db2.gz MAXFWRKCGPQFAM-ZCNNSNEGSA-N 2 2 370.541 2.972 20 30 FFEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)C1 ZINC001471832886 1064812850 /nfs/dbraw/zinc/81/28/50/1064812850.db2.gz LCQCPCLXNBMSSY-NHCUHLMSSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)C1 ZINC001471832886 1064812865 /nfs/dbraw/zinc/81/28/65/1064812865.db2.gz LCQCPCLXNBMSSY-NHCUHLMSSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2cccc(C)c2)C1 ZINC001471832886 1064812878 /nfs/dbraw/zinc/81/28/78/1064812878.db2.gz LCQCPCLXNBMSSY-NHCUHLMSSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2cccc(C)c2)C1 ZINC001471832886 1064812894 /nfs/dbraw/zinc/81/28/94/1064812894.db2.gz LCQCPCLXNBMSSY-NHCUHLMSSA-N 2 2 353.510 2.563 20 30 FFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC001474164206 1065464409 /nfs/dbraw/zinc/46/44/09/1065464409.db2.gz JQWLNXWKFOANKO-UHFFFAOYSA-N 2 2 361.287 2.884 20 30 FFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC001474164206 1065464415 /nfs/dbraw/zinc/46/44/15/1065464415.db2.gz JQWLNXWKFOANKO-UHFFFAOYSA-N 2 2 361.287 2.884 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001570044661 1077179065 /nfs/dbraw/zinc/17/90/65/1077179065.db2.gz JQUMBLQGIJOYDK-KLHDSHLOSA-N 2 2 350.894 2.541 20 30 FFEDLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 ZINC000278312876 256298712 /nfs/dbraw/zinc/29/87/12/256298712.db2.gz TYHBHNZGEFXSGT-FQEVSTJZSA-N 2 2 364.497 2.601 20 30 FFEDLP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000332144739 258216045 /nfs/dbraw/zinc/21/60/45/258216045.db2.gz SMJZEILYAJFMIM-YRNRMSPPSA-N 2 2 370.497 2.956 20 30 FFEDLP C[C@@H]1C[N@H+](CC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000332144739 258216046 /nfs/dbraw/zinc/21/60/46/258216046.db2.gz SMJZEILYAJFMIM-YRNRMSPPSA-N 2 2 370.497 2.956 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000065014004 506250064 /nfs/dbraw/zinc/25/00/64/506250064.db2.gz KBFXHWSVGZUHCS-UHFFFAOYSA-N 2 2 351.450 2.559 20 30 FFEDLP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000373224416 512228230 /nfs/dbraw/zinc/22/82/30/512228230.db2.gz UBFXFTIJZYUPHP-NRFANRHFSA-N 2 2 361.493 2.768 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)cc1OC ZINC000093079117 508119177 /nfs/dbraw/zinc/11/91/77/508119177.db2.gz VFHLDDWNLWGGCS-UHFFFAOYSA-N 2 2 369.465 2.986 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C(C)C ZINC000076073545 508155938 /nfs/dbraw/zinc/15/59/38/508155938.db2.gz XNHKZVDBWOEIHQ-ZWKOTPCHSA-N 2 2 359.518 2.997 20 30 FFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000081572908 508191770 /nfs/dbraw/zinc/19/17/70/508191770.db2.gz SBMVDVWUNWKUSD-OALUTQOASA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000081572908 508191773 /nfs/dbraw/zinc/19/17/73/508191773.db2.gz SBMVDVWUNWKUSD-OALUTQOASA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000081572908 508191775 /nfs/dbraw/zinc/19/17/75/508191775.db2.gz SBMVDVWUNWKUSD-OALUTQOASA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000081572908 508191779 /nfs/dbraw/zinc/19/17/79/508191779.db2.gz SBMVDVWUNWKUSD-OALUTQOASA-N 2 2 356.514 2.985 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000123809290 508742136 /nfs/dbraw/zinc/74/21/36/508742136.db2.gz WNAOYIDBTSCTIG-AWEZNQCLSA-N 2 2 371.872 2.838 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000123809290 508742138 /nfs/dbraw/zinc/74/21/38/508742138.db2.gz WNAOYIDBTSCTIG-AWEZNQCLSA-N 2 2 371.872 2.838 20 30 FFEDLP CCc1nc(CCNC(=[NH+]C)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cs1 ZINC000160072786 508934048 /nfs/dbraw/zinc/93/40/48/508934048.db2.gz WBSQPIDRANNUNV-ZBFHGGJFSA-N 2 2 360.531 2.603 20 30 FFEDLP Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1C ZINC000267006131 509303239 /nfs/dbraw/zinc/30/32/39/509303239.db2.gz KAUZLYQGNBMOAJ-UHFFFAOYSA-N 2 2 354.454 2.641 20 30 FFEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000173911934 509849455 /nfs/dbraw/zinc/84/94/55/509849455.db2.gz DFUMYIQMTUOCAZ-OALUTQOASA-N 2 2 356.514 2.904 20 30 FFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000173911934 509849463 /nfs/dbraw/zinc/84/94/63/509849463.db2.gz DFUMYIQMTUOCAZ-OALUTQOASA-N 2 2 356.514 2.904 20 30 FFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000173911934 509849472 /nfs/dbraw/zinc/84/94/72/509849472.db2.gz DFUMYIQMTUOCAZ-OALUTQOASA-N 2 2 356.514 2.904 20 30 FFEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000173911934 509849479 /nfs/dbraw/zinc/84/94/79/509849479.db2.gz DFUMYIQMTUOCAZ-OALUTQOASA-N 2 2 356.514 2.904 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CN2CCOCC2)c2ccccc2C)CC1 ZINC000183563064 509862656 /nfs/dbraw/zinc/86/26/56/509862656.db2.gz XFQRZJRSPRBRIZ-JOCHJYFZSA-N 2 2 357.542 2.998 20 30 FFEDLP C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245621632 510043017 /nfs/dbraw/zinc/04/30/17/510043017.db2.gz BBZMCWKITRPGRD-RLLQIKCJSA-N 2 2 365.562 2.763 20 30 FFEDLP C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245621632 510043021 /nfs/dbraw/zinc/04/30/21/510043021.db2.gz BBZMCWKITRPGRD-RLLQIKCJSA-N 2 2 365.562 2.763 20 30 FFEDLP N#CC1CC[NH+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000171344072 510094119 /nfs/dbraw/zinc/09/41/19/510094119.db2.gz YIUOBHAUKVLSOR-LJQANCHMSA-N 2 2 374.916 2.829 20 30 FFEDLP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261960562 510128242 /nfs/dbraw/zinc/12/82/42/510128242.db2.gz KBYXLIZNYDNLJE-AOIWGVFYSA-N 2 2 367.497 2.908 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)C(C)C ZINC000177594167 510151706 /nfs/dbraw/zinc/15/17/06/510151706.db2.gz DBNKYKDKZMBZOH-GOSISDBHSA-N 2 2 355.486 2.832 20 30 FFEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000262494171 510300140 /nfs/dbraw/zinc/30/01/40/510300140.db2.gz VVEIBWZYWXNNAD-QGZVFWFLSA-N 2 2 367.497 2.793 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000246342435 510437544 /nfs/dbraw/zinc/43/75/44/510437544.db2.gz GZBHXUBIGZDKTP-DYESRHJHSA-N 2 2 350.466 2.832 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000246342435 510437551 /nfs/dbraw/zinc/43/75/51/510437551.db2.gz GZBHXUBIGZDKTP-DYESRHJHSA-N 2 2 350.466 2.832 20 30 FFEDLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181692843 510542682 /nfs/dbraw/zinc/54/26/82/510542682.db2.gz NJZRFGWEDVYZQG-QGZVFWFLSA-N 3 2 351.498 2.954 20 30 FFEDLP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)CCC2 ZINC000263255769 510632782 /nfs/dbraw/zinc/63/27/82/510632782.db2.gz QQAHZFGWMRHJKU-NRFANRHFSA-N 2 2 364.493 2.803 20 30 FFEDLP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc2c(c1)CCC2 ZINC000263255769 510632788 /nfs/dbraw/zinc/63/27/88/510632788.db2.gz QQAHZFGWMRHJKU-NRFANRHFSA-N 2 2 364.493 2.803 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246885268 510726522 /nfs/dbraw/zinc/72/65/22/510726522.db2.gz QRVNRKHWGFCZAP-ZIFCJYIRSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246885268 510726532 /nfs/dbraw/zinc/72/65/32/510726532.db2.gz QRVNRKHWGFCZAP-ZIFCJYIRSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246885268 510726538 /nfs/dbraw/zinc/72/65/38/510726538.db2.gz QRVNRKHWGFCZAP-ZIFCJYIRSA-N 2 2 358.530 2.666 20 30 FFEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246900025 510734337 /nfs/dbraw/zinc/73/43/37/510734337.db2.gz BJBVFRROGDJMMN-CXAGYDPISA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246900025 510734339 /nfs/dbraw/zinc/73/43/39/510734339.db2.gz BJBVFRROGDJMMN-CXAGYDPISA-N 2 2 357.845 2.930 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247116258 510838208 /nfs/dbraw/zinc/83/82/08/510838208.db2.gz YRTAPUWOHMMZLA-OALUTQOASA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247116258 510838212 /nfs/dbraw/zinc/83/82/12/510838212.db2.gz YRTAPUWOHMMZLA-OALUTQOASA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247116258 510838215 /nfs/dbraw/zinc/83/82/15/510838215.db2.gz YRTAPUWOHMMZLA-OALUTQOASA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247116258 510838218 /nfs/dbraw/zinc/83/82/18/510838218.db2.gz YRTAPUWOHMMZLA-OALUTQOASA-N 2 2 356.514 2.965 20 30 FFEDLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330243150 510945492 /nfs/dbraw/zinc/94/54/92/510945492.db2.gz CMDCTWAEBDNBDW-AZUAARDMSA-N 2 2 368.481 2.693 20 30 FFEDLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330243150 510945496 /nfs/dbraw/zinc/94/54/96/510945496.db2.gz CMDCTWAEBDNBDW-AZUAARDMSA-N 2 2 368.481 2.693 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000365623332 511566623 /nfs/dbraw/zinc/56/66/23/511566623.db2.gz GFPZJXNHECCUHX-HNNXBMFYSA-N 2 2 369.494 2.854 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000365623332 511566625 /nfs/dbraw/zinc/56/66/25/511566625.db2.gz GFPZJXNHECCUHX-HNNXBMFYSA-N 2 2 369.494 2.854 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000303906642 511755303 /nfs/dbraw/zinc/75/53/03/511755303.db2.gz ZZPILBIPXCPGFU-UHFFFAOYSA-N 2 2 351.410 2.816 20 30 FFEDLP Cc1ccc(C(C)(C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000329568026 512071526 /nfs/dbraw/zinc/07/15/26/512071526.db2.gz LLAHHHWKFDDAEL-UHFFFAOYSA-N 2 2 373.545 2.687 20 30 FFEDLP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 ZINC000368074758 512791232 /nfs/dbraw/zinc/79/12/32/512791232.db2.gz WKWVIFQISQKCAC-AEFFLSMTSA-N 2 2 354.479 2.983 20 30 FFEDLP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccccc1 ZINC000368074758 512791234 /nfs/dbraw/zinc/79/12/34/512791234.db2.gz WKWVIFQISQKCAC-AEFFLSMTSA-N 2 2 354.479 2.983 20 30 FFEDLP Cc1cc(N2CCN(c3ccccc3OCC[NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000425234942 513466994 /nfs/dbraw/zinc/46/69/94/513466994.db2.gz OKIBMQAZVDEBPE-UHFFFAOYSA-N 2 2 365.481 2.529 20 30 FFEDLP C=CCc1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc(OC)c1O ZINC000475629205 514740052 /nfs/dbraw/zinc/74/00/52/514740052.db2.gz WMVJNUVVDWLIGK-UHFFFAOYSA-N 2 2 369.465 2.855 20 30 FFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000483712396 516185653 /nfs/dbraw/zinc/18/56/53/516185653.db2.gz PZEQIKFCXUHQJR-UHFFFAOYSA-N 2 2 358.449 2.770 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNC(=O)CC3CCCC3)CC2)cc1 ZINC000540974249 516810912 /nfs/dbraw/zinc/81/09/12/516810912.db2.gz OVYICWAKYLUZNR-UHFFFAOYSA-N 2 2 368.525 2.809 20 30 FFEDLP N#Cc1ccc(CNC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000542134507 517398982 /nfs/dbraw/zinc/39/89/82/517398982.db2.gz RBOKCWNXPADBAT-UHFFFAOYSA-N 2 2 365.481 2.563 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060290 517887635 /nfs/dbraw/zinc/88/76/35/517887635.db2.gz ALSVKZDXFGTTKB-XLIONFOSSA-N 2 2 359.518 2.818 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3Cc4ccccc4NC3=O)CC2)cc1 ZINC000527800872 517920289 /nfs/dbraw/zinc/92/02/89/517920289.db2.gz OWTIFQZXUXVQRO-OAQYLSRUSA-N 2 2 360.461 2.676 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000517318277 518115372 /nfs/dbraw/zinc/11/53/72/518115372.db2.gz VZUBAVJDZZNKJD-IBGZPJMESA-N 2 2 367.497 2.849 20 30 FFEDLP Cc1cc(C#N)cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000569312347 519483204 /nfs/dbraw/zinc/48/32/04/519483204.db2.gz YEFXHENJNNECCB-UHFFFAOYSA-N 2 2 369.513 2.939 20 30 FFEDLP Cc1nsc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)c1C#N ZINC000566565953 519554981 /nfs/dbraw/zinc/55/49/81/519554981.db2.gz SUJZJSNWNLMABY-UHFFFAOYSA-N 2 2 370.507 2.893 20 30 FFEDLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594442699 519968342 /nfs/dbraw/zinc/96/83/42/519968342.db2.gz HXDLQHQQUWMNOR-MJGOQNOKSA-N 2 2 372.513 2.529 20 30 FFEDLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594442699 519968346 /nfs/dbraw/zinc/96/83/46/519968346.db2.gz HXDLQHQQUWMNOR-MJGOQNOKSA-N 2 2 372.513 2.529 20 30 FFEDLP CN1c2ccccc2C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000594968176 520234894 /nfs/dbraw/zinc/23/48/94/520234894.db2.gz VMVXCWUHLDNXBG-OAQYLSRUSA-N 2 2 374.488 2.700 20 30 FFEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595610259 520589964 /nfs/dbraw/zinc/58/99/64/520589964.db2.gz UZNALHKWMOUUNQ-RTBURBONSA-N 2 2 354.498 2.517 20 30 FFEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595610259 520589969 /nfs/dbraw/zinc/58/99/69/520589969.db2.gz UZNALHKWMOUUNQ-RTBURBONSA-N 2 2 354.498 2.517 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCN3CC(F)F)CC2)cc1 ZINC000598989030 520962153 /nfs/dbraw/zinc/96/21/53/520962153.db2.gz YGOWXUBAQMUVMY-IBGZPJMESA-N 2 2 362.468 2.842 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(C#N)c(Cl)s3)CC2)CC1 ZINC000596276537 521004002 /nfs/dbraw/zinc/00/40/02/521004002.db2.gz CQHQLQGNUFDYHD-UHFFFAOYSA-N 2 2 353.923 2.665 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(c3nc(C#N)c(Cl)s3)CC2)CC1 ZINC000596276537 521004011 /nfs/dbraw/zinc/00/40/11/521004011.db2.gz CQHQLQGNUFDYHD-UHFFFAOYSA-N 2 2 353.923 2.665 20 30 FFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C(C)(C)n1cncn1 ZINC000593723765 521175743 /nfs/dbraw/zinc/17/57/43/521175743.db2.gz YNQRYDNMMCELTG-INIZCTEOSA-N 2 2 352.486 2.528 20 30 FFEDLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602706311 521487814 /nfs/dbraw/zinc/48/78/14/521487814.db2.gz NSJUBQDNIHCDMG-UZLBHIALSA-N 2 2 354.498 2.560 20 30 FFEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(C(F)(F)F)cc(C#N)n3)C2)CC1 ZINC000865536247 730967661 /nfs/dbraw/zinc/96/76/61/730967661.db2.gz UHQWLNYSVBPIKO-ZDUSSCGKSA-N 2 2 353.392 2.552 20 30 FFEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(C(F)(F)F)cc(C#N)n3)C2)CC1 ZINC000865536247 730967664 /nfs/dbraw/zinc/96/76/64/730967664.db2.gz UHQWLNYSVBPIKO-ZDUSSCGKSA-N 2 2 353.392 2.552 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876894771 732293486 /nfs/dbraw/zinc/29/34/86/732293486.db2.gz XJQDSNVVXILQEB-RRFJBIMHSA-N 2 2 360.260 2.810 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876894771 732293487 /nfs/dbraw/zinc/29/34/87/732293487.db2.gz XJQDSNVVXILQEB-RRFJBIMHSA-N 2 2 360.260 2.810 20 30 FFEDLP N#Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cs1 ZINC000921605039 738012148 /nfs/dbraw/zinc/01/21/48/738012148.db2.gz FHFKOZMSFRLWDM-UHFFFAOYSA-N 2 2 357.479 2.621 20 30 FFEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(C#N)ccc2Br)CCCO1 ZINC000922063280 738085614 /nfs/dbraw/zinc/08/56/14/738085614.db2.gz DCOKKJFTTLESBF-CQSZACIVSA-N 2 2 366.303 2.911 20 30 FFEDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(C#N)ccc2Br)CCCO1 ZINC000922063280 738085619 /nfs/dbraw/zinc/08/56/19/738085619.db2.gz DCOKKJFTTLESBF-CQSZACIVSA-N 2 2 366.303 2.911 20 30 FFEDLP C=CCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000811883786 741570474 /nfs/dbraw/zinc/57/04/74/741570474.db2.gz WUEANNSICQNDEI-GOSISDBHSA-N 2 2 350.551 2.981 20 30 FFEDLP C=CCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000811883786 741570476 /nfs/dbraw/zinc/57/04/76/741570476.db2.gz WUEANNSICQNDEI-GOSISDBHSA-N 2 2 350.551 2.981 20 30 FFEDLP CC1([NH+]2CCC2)CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000895670998 970837577 /nfs/dbraw/zinc/83/75/77/970837577.db2.gz KOIFEUXSASTDMV-UHFFFAOYSA-N 2 2 364.497 2.919 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112090503 971667978 /nfs/dbraw/zinc/66/79/78/971667978.db2.gz JTRLLSZEPGKXNQ-MGPQQGTHSA-N 2 2 358.408 2.676 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974603518 972036138 /nfs/dbraw/zinc/03/61/38/972036138.db2.gz OGETXYQQTFCBHF-KZNAEPCWSA-N 2 2 356.514 2.557 20 30 FFEDLP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261947483 964863544 /nfs/dbraw/zinc/86/35/44/964863544.db2.gz GHSLALWAQAKYPL-YJBOKZPZSA-N 2 2 365.485 2.726 20 30 FFEDLP C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261947483 964863558 /nfs/dbraw/zinc/86/35/58/964863558.db2.gz GHSLALWAQAKYPL-YJBOKZPZSA-N 2 2 365.485 2.726 20 30 FFEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262013386 965312337 /nfs/dbraw/zinc/31/23/37/965312337.db2.gz XEORNXQLPPZCEY-VJANTYMQSA-N 3 2 360.550 2.604 20 30 FFEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262013386 965312345 /nfs/dbraw/zinc/31/23/45/965312345.db2.gz XEORNXQLPPZCEY-VJANTYMQSA-N 3 2 360.550 2.604 20 30 FFEDLP C=CCN1CC[C@]2(CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1=O ZINC001167987955 966059468 /nfs/dbraw/zinc/05/94/68/966059468.db2.gz NVVFVGNLQXFFMI-CZJMCEMMSA-N 2 2 357.542 2.892 20 30 FFEDLP C=CCN1CC[C@]2(CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1=O ZINC001167987955 966059479 /nfs/dbraw/zinc/05/94/79/966059479.db2.gz NVVFVGNLQXFFMI-CZJMCEMMSA-N 2 2 357.542 2.892 20 30 FFEDLP C=CCN1CC[C@]2(CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1=O ZINC001167987955 966059488 /nfs/dbraw/zinc/05/94/88/966059488.db2.gz NVVFVGNLQXFFMI-CZJMCEMMSA-N 2 2 357.542 2.892 20 30 FFEDLP C=CCN1CC[C@]2(CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1=O ZINC001167987955 966059500 /nfs/dbraw/zinc/05/95/00/966059500.db2.gz NVVFVGNLQXFFMI-CZJMCEMMSA-N 2 2 357.542 2.892 20 30 FFEDLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001087240623 967714544 /nfs/dbraw/zinc/71/45/44/967714544.db2.gz LILSKOQAMVQRKD-HIFRSBDPSA-N 2 2 371.510 2.611 20 30 FFEDLP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023374705 967759331 /nfs/dbraw/zinc/75/93/31/967759331.db2.gz XVMCCGVSSFMZJW-GUDVDZBRSA-N 2 2 356.514 2.558 20 30 FFEDLP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023374705 967759341 /nfs/dbraw/zinc/75/93/41/967759341.db2.gz XVMCCGVSSFMZJW-GUDVDZBRSA-N 2 2 356.514 2.558 20 30 FFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000657863469 968100655 /nfs/dbraw/zinc/10/06/55/968100655.db2.gz JFEYUFFGVBRHLC-OALUTQOASA-N 2 2 356.514 2.845 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1CC ZINC001087575654 968220176 /nfs/dbraw/zinc/22/01/76/968220176.db2.gz QDJSWEYUGUFSBK-AKHDSKFASA-N 2 2 356.514 2.699 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1CC ZINC001087575654 968220182 /nfs/dbraw/zinc/22/01/82/968220182.db2.gz QDJSWEYUGUFSBK-AKHDSKFASA-N 2 2 356.514 2.699 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2CC)[C@@H]1CC ZINC001087607247 968343516 /nfs/dbraw/zinc/34/35/16/968343516.db2.gz TYVSFENHCONDKQ-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2CC)[C@@H]1CC ZINC001087607247 968343523 /nfs/dbraw/zinc/34/35/23/968343523.db2.gz TYVSFENHCONDKQ-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2CC)[C@@H]1CC ZINC001087607247 968343529 /nfs/dbraw/zinc/34/35/29/968343529.db2.gz TYVSFENHCONDKQ-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2CC)[C@@H]1CC ZINC001087607247 968343539 /nfs/dbraw/zinc/34/35/39/968343539.db2.gz TYVSFENHCONDKQ-BDTNDASRSA-N 2 2 367.537 2.816 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001087847320 970583302 /nfs/dbraw/zinc/58/33/02/970583302.db2.gz CHAOFRVLQSSVLJ-RBUKOAKNSA-N 2 2 370.884 2.557 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001087847320 970583309 /nfs/dbraw/zinc/58/33/09/970583309.db2.gz CHAOFRVLQSSVLJ-RBUKOAKNSA-N 2 2 370.884 2.557 20 30 FFEDLP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665389880 970634530 /nfs/dbraw/zinc/63/45/30/970634530.db2.gz RBUNVMDYFWYWDN-RLLQIKCJSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665389880 970634536 /nfs/dbraw/zinc/63/45/36/970634536.db2.gz RBUNVMDYFWYWDN-RLLQIKCJSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665717560 974015300 /nfs/dbraw/zinc/01/53/00/974015300.db2.gz GQZUPCFVJPAXMA-VQTJNVASSA-N 2 2 370.541 2.642 20 30 FFEDLP C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665717560 974015303 /nfs/dbraw/zinc/01/53/03/974015303.db2.gz GQZUPCFVJPAXMA-VQTJNVASSA-N 2 2 370.541 2.642 20 30 FFEDLP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990739673 976760240 /nfs/dbraw/zinc/76/02/40/976760240.db2.gz JKCXOHANENWZHD-NXWNEQKCSA-N 2 2 368.525 2.843 20 30 FFEDLP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@H]12 ZINC000990739673 976760250 /nfs/dbraw/zinc/76/02/50/976760250.db2.gz JKCXOHANENWZHD-NXWNEQKCSA-N 2 2 368.525 2.843 20 30 FFEDLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328860435 977299092 /nfs/dbraw/zinc/29/90/92/977299092.db2.gz YSXUDEJWOIDDLU-FQEVSTJZSA-N 2 2 367.497 2.906 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)c(C#N)c(C)c3)CC2)CC1 ZINC000911191021 982163012 /nfs/dbraw/zinc/16/30/12/982163012.db2.gz VOLXLKGLBALYPV-UHFFFAOYSA-N 2 2 368.525 2.807 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)c(C#N)c(C)c3)CC2)CC1 ZINC000911191021 982163017 /nfs/dbraw/zinc/16/30/17/982163017.db2.gz VOLXLKGLBALYPV-UHFFFAOYSA-N 2 2 368.525 2.807 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088891617 985344599 /nfs/dbraw/zinc/34/45/99/985344599.db2.gz FIJKRAGQMNJSCL-PBHICJAKSA-N 2 2 371.510 2.719 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001088891617 985344608 /nfs/dbraw/zinc/34/46/08/985344608.db2.gz FIJKRAGQMNJSCL-PBHICJAKSA-N 2 2 371.510 2.719 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1c1cccc(F)c1 ZINC001079188699 991899962 /nfs/dbraw/zinc/89/99/62/991899962.db2.gz MJTRSBROXNUSTQ-RBUKOAKNSA-N 2 2 369.440 2.542 20 30 FFEDLP COC(=O)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000813332494 995667263 /nfs/dbraw/zinc/66/72/63/995667263.db2.gz BAHHUXBNYSSTDG-LJQANCHMSA-N 2 2 357.498 2.948 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084544924 996665311 /nfs/dbraw/zinc/66/53/11/996665311.db2.gz MZGSFBBLSJGNBX-IEBWSBKVSA-N 2 2 361.917 2.690 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CC[NH+](C)C)[C@@H]2C1 ZINC001084544924 996665312 /nfs/dbraw/zinc/66/53/12/996665312.db2.gz MZGSFBBLSJGNBX-IEBWSBKVSA-N 2 2 361.917 2.690 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001109466384 1000514486 /nfs/dbraw/zinc/51/44/86/1000514486.db2.gz ZIDVTPBZQQUIBV-AABGKKOBSA-N 2 2 371.500 2.629 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001109466384 1000514489 /nfs/dbraw/zinc/51/44/89/1000514489.db2.gz ZIDVTPBZQQUIBV-AABGKKOBSA-N 2 2 371.500 2.629 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001109466384 1000514496 /nfs/dbraw/zinc/51/44/96/1000514496.db2.gz ZIDVTPBZQQUIBV-AABGKKOBSA-N 2 2 371.500 2.629 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001109466384 1000514497 /nfs/dbraw/zinc/51/44/97/1000514497.db2.gz ZIDVTPBZQQUIBV-AABGKKOBSA-N 2 2 371.500 2.629 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000770225068 1000707414 /nfs/dbraw/zinc/70/74/14/1000707414.db2.gz INHVNSUELFFWJB-NRFANRHFSA-N 2 2 353.510 2.997 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000770225068 1000707421 /nfs/dbraw/zinc/70/74/21/1000707421.db2.gz INHVNSUELFFWJB-NRFANRHFSA-N 2 2 353.510 2.997 20 30 FFEDLP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563443 1001484244 /nfs/dbraw/zinc/48/42/44/1001484244.db2.gz VVPSXDDWDHNPAL-RXVVDRJESA-N 2 2 358.530 2.927 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086596209 1002621536 /nfs/dbraw/zinc/62/15/36/1002621536.db2.gz QGWNXIISDLTDLG-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086596209 1002621540 /nfs/dbraw/zinc/62/15/40/1002621540.db2.gz QGWNXIISDLTDLG-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)cc1 ZINC001095619863 1016866543 /nfs/dbraw/zinc/86/65/43/1016866543.db2.gz YZNVWVOLGJDSQT-LMNJBCLMSA-N 2 2 371.444 2.970 20 30 FFEDLP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)cc1 ZINC001095619863 1016866556 /nfs/dbraw/zinc/86/65/56/1016866556.db2.gz YZNVWVOLGJDSQT-LMNJBCLMSA-N 2 2 371.444 2.970 20 30 FFEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198741331 1004719209 /nfs/dbraw/zinc/71/92/09/1004719209.db2.gz KLROBQZGUGRSAG-BFYDXBDKSA-N 2 2 365.905 2.535 20 30 FFEDLP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1OC ZINC001198741331 1004719215 /nfs/dbraw/zinc/71/92/15/1004719215.db2.gz KLROBQZGUGRSAG-BFYDXBDKSA-N 2 2 365.905 2.535 20 30 FFEDLP N#CC[C@H]1CCC[NH+](CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000853524903 1006429381 /nfs/dbraw/zinc/42/93/81/1006429381.db2.gz RPROHYWZCZYBNR-HKBOAZHASA-N 2 2 366.509 2.550 20 30 FFEDLP N#CC[C@H]1CCC[NH+](CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000853524903 1006429387 /nfs/dbraw/zinc/42/93/87/1006429387.db2.gz RPROHYWZCZYBNR-HKBOAZHASA-N 2 2 366.509 2.550 20 30 FFEDLP N#CC[C@H]1CCC[N@@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000853524903 1006429392 /nfs/dbraw/zinc/42/93/92/1006429392.db2.gz RPROHYWZCZYBNR-HKBOAZHASA-N 2 2 366.509 2.550 20 30 FFEDLP N#CC[C@H]1CCC[N@H+](CN2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000853524903 1006429394 /nfs/dbraw/zinc/42/93/94/1006429394.db2.gz RPROHYWZCZYBNR-HKBOAZHASA-N 2 2 366.509 2.550 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188369551 1006532967 /nfs/dbraw/zinc/53/29/67/1006532967.db2.gz KNNGQBXCDMFZLN-WSTZPKSXSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001188369551 1006532977 /nfs/dbraw/zinc/53/29/77/1006532977.db2.gz KNNGQBXCDMFZLN-WSTZPKSXSA-N 2 2 358.530 2.949 20 30 FFEDLP C#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000883132511 1006663433 /nfs/dbraw/zinc/66/34/33/1006663433.db2.gz UHSXTVSCXYFXRN-UHFFFAOYSA-N 2 2 350.462 2.669 20 30 FFEDLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 ZINC000886358214 1008649200 /nfs/dbraw/zinc/64/92/00/1008649200.db2.gz RGKGMCZJALARDS-FPOVZHCZSA-N 2 2 357.498 2.554 20 30 FFEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@H]1C ZINC001178721853 1009081114 /nfs/dbraw/zinc/08/11/14/1009081114.db2.gz KUFWYSDIJBOLBC-HCXYKTFWSA-N 2 2 356.514 2.699 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)cc1 ZINC000865415993 1010780510 /nfs/dbraw/zinc/78/05/10/1010780510.db2.gz UNAZTZJOKXNWCQ-UHFFFAOYSA-N 2 2 351.450 2.559 20 30 FFEDLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866255972 1010962386 /nfs/dbraw/zinc/96/23/86/1010962386.db2.gz HXPGDKGHUCQFTC-UWJYYQICSA-N 2 2 364.493 2.903 20 30 FFEDLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1O ZINC000866388463 1010986767 /nfs/dbraw/zinc/98/67/67/1010986767.db2.gz JVBGRFMZYQGFLF-HNAYVOBHSA-N 2 2 351.450 2.681 20 30 FFEDLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C#N)c1O ZINC000866388463 1010986772 /nfs/dbraw/zinc/98/67/72/1010986772.db2.gz JVBGRFMZYQGFLF-HNAYVOBHSA-N 2 2 351.450 2.681 20 30 FFEDLP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[N@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419918 1011103770 /nfs/dbraw/zinc/10/37/70/1011103770.db2.gz JCMQFYIJMXYQIC-SFHLNBCPSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[N@@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419918 1011103774 /nfs/dbraw/zinc/10/37/74/1011103774.db2.gz JCMQFYIJMXYQIC-SFHLNBCPSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419918 1011103777 /nfs/dbraw/zinc/10/37/77/1011103777.db2.gz JCMQFYIJMXYQIC-SFHLNBCPSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419918 1011103781 /nfs/dbraw/zinc/10/37/81/1011103781.db2.gz JCMQFYIJMXYQIC-SFHLNBCPSA-N 2 2 371.529 2.727 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433844 1011118148 /nfs/dbraw/zinc/11/81/48/1011118148.db2.gz GCXPMBOXMMUHLA-GPMSIDNRSA-N 2 2 362.905 2.874 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001094433844 1011118152 /nfs/dbraw/zinc/11/81/52/1011118152.db2.gz GCXPMBOXMMUHLA-GPMSIDNRSA-N 2 2 362.905 2.874 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC001094451470 1011141323 /nfs/dbraw/zinc/14/13/23/1011141323.db2.gz WEXQLGGAICUHLJ-LDQXTDLNSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]c(C)[nH]c4C3)CCC[C@@H]12 ZINC001094451470 1011141324 /nfs/dbraw/zinc/14/13/24/1011141324.db2.gz WEXQLGGAICUHLJ-LDQXTDLNSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC001094451470 1011141327 /nfs/dbraw/zinc/14/13/27/1011141327.db2.gz WEXQLGGAICUHLJ-LDQXTDLNSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)CCC[C@@H]12 ZINC001094451470 1011141332 /nfs/dbraw/zinc/14/13/32/1011141332.db2.gz WEXQLGGAICUHLJ-LDQXTDLNSA-N 2 2 356.514 2.760 20 30 FFEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172968893 1012137467 /nfs/dbraw/zinc/13/74/67/1012137467.db2.gz ADALBAYIUVVIHM-BZSNNMDCSA-N 2 2 364.534 2.988 20 30 FFEDLP N#Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001173432567 1012594501 /nfs/dbraw/zinc/59/45/01/1012594501.db2.gz DVJIRCGOVSZCNR-GOSISDBHSA-N 2 2 363.465 2.699 20 30 FFEDLP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(C#N)c1O ZINC000924628916 1017383528 /nfs/dbraw/zinc/38/35/28/1017383528.db2.gz XSDIFUKXPKWQBT-IBGZPJMESA-N 2 2 365.481 2.652 20 30 FFEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001045442825 1019969224 /nfs/dbraw/zinc/96/92/24/1019969224.db2.gz RWIJLPVIRVPOHA-QZTJIDSGSA-N 2 2 356.514 2.701 20 30 FFEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001098231180 1020750223 /nfs/dbraw/zinc/75/02/23/1020750223.db2.gz ZWQQJQUSKSREJG-UZKOGDIHSA-N 2 2 374.488 2.534 20 30 FFEDLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001098231180 1020750227 /nfs/dbraw/zinc/75/02/27/1020750227.db2.gz ZWQQJQUSKSREJG-UZKOGDIHSA-N 2 2 374.488 2.534 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001098849191 1021234932 /nfs/dbraw/zinc/23/49/32/1021234932.db2.gz SHSANKCIQHCVSB-UWJYYQICSA-N 2 2 356.514 2.699 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001098849191 1021234943 /nfs/dbraw/zinc/23/49/43/1021234943.db2.gz SHSANKCIQHCVSB-UWJYYQICSA-N 2 2 356.514 2.699 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095767776 1022786664 /nfs/dbraw/zinc/78/66/64/1022786664.db2.gz XLFAJKUWOVUPND-GIVPXCGWSA-N 2 2 371.444 2.741 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095767776 1022786675 /nfs/dbraw/zinc/78/66/75/1022786675.db2.gz XLFAJKUWOVUPND-GIVPXCGWSA-N 2 2 371.444 2.741 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001122529635 1023321650 /nfs/dbraw/zinc/32/16/50/1023321650.db2.gz JGQPFUHXYNULMM-ROUUACIJSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001122529635 1023321654 /nfs/dbraw/zinc/32/16/54/1023321654.db2.gz JGQPFUHXYNULMM-ROUUACIJSA-N 2 2 358.534 2.686 20 30 FFEDLP COC(=O)c1cccc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000779827116 1024929097 /nfs/dbraw/zinc/92/90/97/1024929097.db2.gz WSGIHBKBLDXDQZ-UHFFFAOYSA-N 2 2 352.438 2.671 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098098 1025421524 /nfs/dbraw/zinc/42/15/24/1025421524.db2.gz TVJZKKCKWTWAHN-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098098 1025421526 /nfs/dbraw/zinc/42/15/26/1025421526.db2.gz TVJZKKCKWTWAHN-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCN1CCN(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000840014773 1026911549 /nfs/dbraw/zinc/91/15/49/1026911549.db2.gz JZMJOVRXTSQCOA-UHFFFAOYSA-N 2 2 357.502 2.501 20 30 FFEDLP C=CCN1CCN(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000840014773 1026911553 /nfs/dbraw/zinc/91/15/53/1026911553.db2.gz JZMJOVRXTSQCOA-UHFFFAOYSA-N 2 2 357.502 2.501 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001221719541 1035010303 /nfs/dbraw/zinc/01/03/03/1035010303.db2.gz FCVYEZFOSVZTCZ-UYAOXDASSA-N 2 2 350.466 2.985 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)[C@@H]2C1 ZINC001221719541 1035010312 /nfs/dbraw/zinc/01/03/12/1035010312.db2.gz FCVYEZFOSVZTCZ-UYAOXDASSA-N 2 2 350.466 2.985 20 30 FFEDLP N#Cc1cccc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)n1 ZINC001232925738 1036163369 /nfs/dbraw/zinc/16/33/69/1036163369.db2.gz MRWIXUDGHYHGAG-UHFFFAOYSA-N 2 2 368.238 2.963 20 30 FFEDLP Cc1cc(C#N)ccc1C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001233080780 1036331206 /nfs/dbraw/zinc/33/12/06/1036331206.db2.gz CAUHJSIICIUCPL-UHFFFAOYSA-N 2 2 364.497 2.502 20 30 FFEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001233080780 1036331217 /nfs/dbraw/zinc/33/12/17/1036331217.db2.gz CAUHJSIICIUCPL-UHFFFAOYSA-N 2 2 364.497 2.502 20 30 FFEDLP N#Cc1cccc(N2C[C@]3(CC[N@@H+](C[C@H]([NH3+])Cc4ccccc4)C3)CC2=O)c1 ZINC001235632090 1037654968 /nfs/dbraw/zinc/65/49/68/1037654968.db2.gz IVYAKIVALKDGAA-NFBKMPQASA-N 2 2 374.488 2.557 20 30 FFEDLP N#Cc1cccc(N2C[C@]3(CC[N@H+](C[C@H]([NH3+])Cc4ccccc4)C3)CC2=O)c1 ZINC001235632090 1037654972 /nfs/dbraw/zinc/65/49/72/1037654972.db2.gz IVYAKIVALKDGAA-NFBKMPQASA-N 2 2 374.488 2.557 20 30 FFEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001208067522 1037991230 /nfs/dbraw/zinc/99/12/30/1037991230.db2.gz LSYJDPWHAQIKEQ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001208175278 1038111056 /nfs/dbraw/zinc/11/10/56/1038111056.db2.gz RMCGLIILQJDRMY-HXUWFJFHSA-N 2 2 369.557 2.749 20 30 FFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001208175278 1038111065 /nfs/dbraw/zinc/11/10/65/1038111065.db2.gz RMCGLIILQJDRMY-HXUWFJFHSA-N 2 2 369.557 2.749 20 30 FFEDLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001257024317 1038681202 /nfs/dbraw/zinc/68/12/02/1038681202.db2.gz ADLUZRCXCRQNPX-UYAOXDASSA-N 2 2 355.482 2.844 20 30 FFEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246033678 1039204867 /nfs/dbraw/zinc/20/48/67/1039204867.db2.gz ONFFWIBJABOQOT-CTNGQTDRSA-N 2 2 367.578 2.822 20 30 FFEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246033678 1039204877 /nfs/dbraw/zinc/20/48/77/1039204877.db2.gz ONFFWIBJABOQOT-CTNGQTDRSA-N 2 2 367.578 2.822 20 30 FFEDLP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[NH2+]1 ZINC001246768813 1039474004 /nfs/dbraw/zinc/47/40/04/1039474004.db2.gz VGKHWPPENLBHFP-STZQEDGTSA-N 2 2 368.525 2.618 20 30 FFEDLP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[NH2+]1 ZINC001246768813 1039474010 /nfs/dbraw/zinc/47/40/10/1039474010.db2.gz VGKHWPPENLBHFP-STZQEDGTSA-N 2 2 368.525 2.618 20 30 FFEDLP C=CCC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252598440 1039609812 /nfs/dbraw/zinc/60/98/12/1039609812.db2.gz NXDSHMWOYCWKBU-RTBURBONSA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@@H](O)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252598440 1039609820 /nfs/dbraw/zinc/60/98/20/1039609820.db2.gz NXDSHMWOYCWKBU-RTBURBONSA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001252598440 1039609827 /nfs/dbraw/zinc/60/98/27/1039609827.db2.gz NXDSHMWOYCWKBU-RTBURBONSA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001252598440 1039609834 /nfs/dbraw/zinc/60/98/34/1039609834.db2.gz NXDSHMWOYCWKBU-RTBURBONSA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](OC)C1 ZINC001213665321 1040776590 /nfs/dbraw/zinc/77/65/90/1040776590.db2.gz NYZMGXFENXWSHM-NSISKUIASA-N 2 2 368.481 2.656 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](OC)C1 ZINC001213665321 1040776601 /nfs/dbraw/zinc/77/66/01/1040776601.db2.gz NYZMGXFENXWSHM-NSISKUIASA-N 2 2 368.481 2.656 20 30 FFEDLP C[NH+]1CCN(c2ccc(Nc3cc[nH+]cc3C(F)(F)F)cc2C#N)CC1 ZINC001249590643 1040884737 /nfs/dbraw/zinc/88/47/37/1040884737.db2.gz WFQRGPCUUBCKHZ-UHFFFAOYSA-N 2 2 361.371 2.889 20 30 FFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001215226862 1041706824 /nfs/dbraw/zinc/70/68/24/1041706824.db2.gz UTWUCUPXJAKOTA-VAMGGRTRSA-N 2 2 367.578 2.894 20 30 FFEDLP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001215226862 1041706828 /nfs/dbraw/zinc/70/68/28/1041706828.db2.gz UTWUCUPXJAKOTA-VAMGGRTRSA-N 2 2 367.578 2.894 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001263300896 1042228689 /nfs/dbraw/zinc/22/86/89/1042228689.db2.gz CNCJTMXVCPAPSB-RDGPPVDQSA-N 2 2 372.561 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001263300896 1042228693 /nfs/dbraw/zinc/22/86/93/1042228693.db2.gz CNCJTMXVCPAPSB-RDGPPVDQSA-N 2 2 372.561 2.787 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001264038899 1042591585 /nfs/dbraw/zinc/59/15/85/1042591585.db2.gz OJUVPTDDKTVYBE-NHCUHLMSSA-N 2 2 364.493 2.661 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001264038899 1042591591 /nfs/dbraw/zinc/59/15/91/1042591591.db2.gz OJUVPTDDKTVYBE-NHCUHLMSSA-N 2 2 364.493 2.661 20 30 FFEDLP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264592973 1042731433 /nfs/dbraw/zinc/73/14/33/1042731433.db2.gz YOAUPAAGYHLKMJ-DUXKGJEZSA-N 2 2 364.493 2.586 20 30 FFEDLP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001264592973 1042731438 /nfs/dbraw/zinc/73/14/38/1042731438.db2.gz YOAUPAAGYHLKMJ-DUXKGJEZSA-N 2 2 364.493 2.586 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCC=CO2)C3)cc1C#N ZINC001278138782 1043331880 /nfs/dbraw/zinc/33/18/80/1043331880.db2.gz DPTBLJKZKSTMOT-LEWJYISDSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCC=CO2)C3)cc1C#N ZINC001278138782 1043331883 /nfs/dbraw/zinc/33/18/83/1043331883.db2.gz DPTBLJKZKSTMOT-LEWJYISDSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@@H]2CCC=CO2)C3)cc1C#N ZINC001278138782 1043331892 /nfs/dbraw/zinc/33/18/92/1043331892.db2.gz DPTBLJKZKSTMOT-LEWJYISDSA-N 2 2 354.498 2.877 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C[C@@H]2CCC=CO2)C3)cc1C#N ZINC001278138782 1043331898 /nfs/dbraw/zinc/33/18/98/1043331898.db2.gz DPTBLJKZKSTMOT-LEWJYISDSA-N 2 2 354.498 2.877 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001339528155 1043458206 /nfs/dbraw/zinc/45/82/06/1043458206.db2.gz DHDJNWNMEPJFHK-ZWKOTPCHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001339528155 1043458211 /nfs/dbraw/zinc/45/82/11/1043458211.db2.gz DHDJNWNMEPJFHK-ZWKOTPCHSA-N 2 2 358.534 2.686 20 30 FFEDLP CCOC(=O)c1c[nH+]c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1N(C)C ZINC001240337896 1044316369 /nfs/dbraw/zinc/31/63/69/1044316369.db2.gz WEOYXCYIJJEJNT-UHFFFAOYSA-N 2 2 350.422 2.550 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001351656697 1054941135 /nfs/dbraw/zinc/94/11/35/1054941135.db2.gz KNKGUMJRCDAVOQ-QZTJIDSGSA-N 2 2 360.550 2.617 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001351656697 1054941147 /nfs/dbraw/zinc/94/11/47/1054941147.db2.gz KNKGUMJRCDAVOQ-QZTJIDSGSA-N 2 2 360.550 2.617 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001515295952 1059510371 /nfs/dbraw/zinc/51/03/71/1059510371.db2.gz LXUUMDSESJZTDP-KURKYZTESA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001515295952 1059510390 /nfs/dbraw/zinc/51/03/90/1059510390.db2.gz LXUUMDSESJZTDP-KURKYZTESA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001515295952 1059510400 /nfs/dbraw/zinc/51/04/00/1059510400.db2.gz LXUUMDSESJZTDP-KURKYZTESA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001515295952 1059510422 /nfs/dbraw/zinc/51/04/22/1059510422.db2.gz LXUUMDSESJZTDP-KURKYZTESA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001520305308 1059589375 /nfs/dbraw/zinc/58/93/75/1059589375.db2.gz JTXXYHLYEHSAQD-VJANTYMQSA-N 2 2 372.561 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001520305308 1059589389 /nfs/dbraw/zinc/58/93/89/1059589389.db2.gz JTXXYHLYEHSAQD-VJANTYMQSA-N 2 2 372.561 2.787 20 30 FFEDLP C#CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CCCCC1 ZINC001473825115 1065379957 /nfs/dbraw/zinc/37/99/57/1065379957.db2.gz CFXBMVKLEIVOBL-UHFFFAOYSA-N 2 2 359.539 2.708 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])C3CCCCCC3)CC2)cc1 ZINC001580065939 1078743488 /nfs/dbraw/zinc/74/34/88/1078743488.db2.gz UXNQAVKDPUKFCQ-HXUWFJFHSA-N 2 2 354.498 2.500 20 30 FFEDLP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000068261671 507165708 /nfs/dbraw/zinc/16/57/08/507165708.db2.gz NQWYCQYUTSSUGP-UHFFFAOYSA-N 2 2 362.477 2.578 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000106261156 508398507 /nfs/dbraw/zinc/39/85/07/508398507.db2.gz CUOSQDHJZCFHND-UHFFFAOYSA-N 2 2 371.529 2.912 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124355855 508820582 /nfs/dbraw/zinc/82/05/82/508820582.db2.gz FHVGHSMMBGGDPY-UHFFFAOYSA-N 2 2 353.470 2.769 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000124355855 508820584 /nfs/dbraw/zinc/82/05/84/508820584.db2.gz FHVGHSMMBGGDPY-UHFFFAOYSA-N 2 2 353.470 2.769 20 30 FFEDLP CC[NH+]=C(NCc1nccn1C(F)F)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261957075 510128067 /nfs/dbraw/zinc/12/80/67/510128067.db2.gz JBKVJEIROMFWMY-ZIAGYGMSSA-N 2 2 365.432 2.523 20 30 FFEDLP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261960565 510128847 /nfs/dbraw/zinc/12/88/47/510128847.db2.gz KBYXLIZNYDNLJE-JENIJYKNSA-N 2 2 367.497 2.908 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NC[C@]1(C)CCCS1 ZINC000262022608 510151235 /nfs/dbraw/zinc/15/12/35/510151235.db2.gz ZCTSHOAJFPDENW-SFHVURJKSA-N 2 2 358.515 2.526 20 30 FFEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000245879668 510183637 /nfs/dbraw/zinc/18/36/37/510183637.db2.gz NBJHPORVXLUMHL-ZBFHGGJFSA-N 2 2 369.469 2.783 20 30 FFEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000245879668 510183644 /nfs/dbraw/zinc/18/36/44/510183644.db2.gz NBJHPORVXLUMHL-ZBFHGGJFSA-N 2 2 369.469 2.783 20 30 FFEDLP CCOC(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181443976 510412856 /nfs/dbraw/zinc/41/28/56/510412856.db2.gz FXIAMXQVBOYRCL-UHFFFAOYSA-N 2 2 370.497 2.733 20 30 FFEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000266150697 510434331 /nfs/dbraw/zinc/43/43/31/510434331.db2.gz KGUYIFBUMPYUOD-LEWJYISDSA-N 2 2 365.477 2.539 20 30 FFEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C#N ZINC000266150697 510434340 /nfs/dbraw/zinc/43/43/40/510434340.db2.gz KGUYIFBUMPYUOD-LEWJYISDSA-N 2 2 365.477 2.539 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246570191 510561373 /nfs/dbraw/zinc/56/13/73/510561373.db2.gz BTIGBIDKNFPKEQ-SIIHOXLZSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246570191 510561377 /nfs/dbraw/zinc/56/13/77/510561377.db2.gz BTIGBIDKNFPKEQ-SIIHOXLZSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246570191 510561380 /nfs/dbraw/zinc/56/13/80/510561380.db2.gz BTIGBIDKNFPKEQ-SIIHOXLZSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246570191 510561384 /nfs/dbraw/zinc/56/13/84/510561384.db2.gz BTIGBIDKNFPKEQ-SIIHOXLZSA-N 2 2 360.889 2.955 20 30 FFEDLP CO[C@H]1CC[N@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@@H](C)C1 ZINC000330274693 510953833 /nfs/dbraw/zinc/95/38/33/510953833.db2.gz KNBRGXJHUCPKTL-ZFWWWQNUSA-N 2 2 352.504 2.826 20 30 FFEDLP CO[C@H]1CC[N@@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@@H](C)C1 ZINC000330274693 510953838 /nfs/dbraw/zinc/95/38/38/510953838.db2.gz KNBRGXJHUCPKTL-ZFWWWQNUSA-N 2 2 352.504 2.826 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277124618 510954395 /nfs/dbraw/zinc/95/43/95/510954395.db2.gz IAEDNCDFLNIGMP-LJQANCHMSA-N 2 2 356.514 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277124618 510954398 /nfs/dbraw/zinc/95/43/98/510954398.db2.gz IAEDNCDFLNIGMP-LJQANCHMSA-N 2 2 356.514 2.966 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000330283645 510956811 /nfs/dbraw/zinc/95/68/11/510956811.db2.gz WISFZSQLUMRVRF-UHFFFAOYSA-N 2 2 370.497 2.918 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282597753 511040722 /nfs/dbraw/zinc/04/07/22/511040722.db2.gz XPTRBLCEVFNQGN-KNQAVFIVSA-N 2 2 370.541 2.931 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282597753 511040727 /nfs/dbraw/zinc/04/07/27/511040727.db2.gz XPTRBLCEVFNQGN-KNQAVFIVSA-N 2 2 370.541 2.931 20 30 FFEDLP COc1cc(C(N)=[NH+]OCCCn2cc[nH+]c2C)cc(Cl)c1OC ZINC000271209021 511121133 /nfs/dbraw/zinc/12/11/33/511121133.db2.gz LFFFDGLGYXLZRK-UHFFFAOYSA-N 2 2 352.822 2.589 20 30 FFEDLP CN(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000271845570 511346390 /nfs/dbraw/zinc/34/63/90/511346390.db2.gz HOYCYZLKKXWXPJ-UHFFFAOYSA-N 2 2 354.420 2.606 20 30 FFEDLP CCN(CC)C(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273462044 511527650 /nfs/dbraw/zinc/52/76/50/511527650.db2.gz HWYLRKSUZVDYIC-UHFFFAOYSA-N 2 2 352.280 2.604 20 30 FFEDLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000328835196 511939011 /nfs/dbraw/zinc/93/90/11/511939011.db2.gz MEXWZQOJFUJHBZ-SIHNGCNOSA-N 2 2 371.529 2.856 20 30 FFEDLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000329387376 512038354 /nfs/dbraw/zinc/03/83/54/512038354.db2.gz QEJWSRQGKRQSOC-WMLDXEAASA-N 2 2 361.515 2.911 20 30 FFEDLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000329387376 512038356 /nfs/dbraw/zinc/03/83/56/512038356.db2.gz QEJWSRQGKRQSOC-WMLDXEAASA-N 2 2 361.515 2.911 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282096758 512075480 /nfs/dbraw/zinc/07/54/80/512075480.db2.gz PBDSLHJKLCISAM-ROUUACIJSA-N 2 2 356.514 2.988 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282096758 512075485 /nfs/dbraw/zinc/07/54/85/512075485.db2.gz PBDSLHJKLCISAM-ROUUACIJSA-N 2 2 356.514 2.988 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000376596606 512890390 /nfs/dbraw/zinc/89/03/90/512890390.db2.gz VTRNHHYHMOLLCX-QGZVFWFLSA-N 2 2 363.465 2.909 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000376596606 512890393 /nfs/dbraw/zinc/89/03/93/512890393.db2.gz VTRNHHYHMOLLCX-QGZVFWFLSA-N 2 2 363.465 2.909 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000376596602 512890682 /nfs/dbraw/zinc/89/06/82/512890682.db2.gz VTRNHHYHMOLLCX-KRWDZBQOSA-N 2 2 363.465 2.909 20 30 FFEDLP N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000376596602 512890684 /nfs/dbraw/zinc/89/06/84/512890684.db2.gz VTRNHHYHMOLLCX-KRWDZBQOSA-N 2 2 363.465 2.909 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374614400 512916688 /nfs/dbraw/zinc/91/66/88/512916688.db2.gz VCSQTONBLUZYLK-IDYZSHNDSA-N 2 2 360.546 2.866 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374614400 512916690 /nfs/dbraw/zinc/91/66/90/512916690.db2.gz VCSQTONBLUZYLK-IDYZSHNDSA-N 2 2 360.546 2.866 20 30 FFEDLP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000421397992 513247707 /nfs/dbraw/zinc/24/77/07/513247707.db2.gz FQDSYRYCFVMXHN-QGZVFWFLSA-N 2 2 357.498 2.696 20 30 FFEDLP C[NH+]1CCC(CNc2c(C#N)cccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000425237636 513468178 /nfs/dbraw/zinc/46/81/78/513468178.db2.gz SDWYMDNMDCFRPK-UHFFFAOYSA-N 2 2 357.458 2.829 20 30 FFEDLP C=C(C)CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000458999847 515259867 /nfs/dbraw/zinc/25/98/67/515259867.db2.gz LXVJTBOMEIANAB-RBUKOAKNSA-N 2 2 350.551 2.931 20 30 FFEDLP C=C(C)CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458999847 515259877 /nfs/dbraw/zinc/25/98/77/515259877.db2.gz LXVJTBOMEIANAB-RBUKOAKNSA-N 2 2 350.551 2.931 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1)Cc1ccccc1 ZINC000468275832 515295296 /nfs/dbraw/zinc/29/52/96/515295296.db2.gz DTNNQXGUGADNLZ-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1)Cc1ccccc1 ZINC000468275832 515295302 /nfs/dbraw/zinc/29/53/02/515295302.db2.gz DTNNQXGUGADNLZ-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(C#N)cc1F ZINC000512662435 516319005 /nfs/dbraw/zinc/31/90/05/516319005.db2.gz XFMDZAAGAKQBOQ-HNNXBMFYSA-N 2 2 353.445 2.695 20 30 FFEDLP C=C1CC[NH+](CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000533281338 517381796 /nfs/dbraw/zinc/38/17/96/517381796.db2.gz QPSZPHVSDFHHSI-OAQYLSRUSA-N 2 2 371.525 2.990 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533865653 517646006 /nfs/dbraw/zinc/64/60/06/517646006.db2.gz VCWUYWINYPOBIC-ZDUSSCGKSA-N 2 2 369.494 2.660 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533865653 517646020 /nfs/dbraw/zinc/64/60/20/517646020.db2.gz VCWUYWINYPOBIC-ZDUSSCGKSA-N 2 2 369.494 2.660 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)Cc3ccccc3)CC2)cc1 ZINC000539498296 518077323 /nfs/dbraw/zinc/07/73/23/518077323.db2.gz DCQIVQOBFMWTBZ-QFIPXVFZSA-N 2 2 363.505 2.963 20 30 FFEDLP CC[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(C#N)cc1 ZINC000567013029 518310125 /nfs/dbraw/zinc/31/01/25/518310125.db2.gz GUURFBIHPYMZGF-MSOLQXFVSA-N 2 2 351.454 2.524 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472686 518357596 /nfs/dbraw/zinc/35/75/96/518357596.db2.gz AOWZJYJAZPFMOT-IRXDYDNUSA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472686 518357602 /nfs/dbraw/zinc/35/76/02/518357602.db2.gz AOWZJYJAZPFMOT-IRXDYDNUSA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472686 518357609 /nfs/dbraw/zinc/35/76/09/518357609.db2.gz AOWZJYJAZPFMOT-IRXDYDNUSA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)NC3(C#N)CCC3)C2)s1 ZINC000584472686 518357613 /nfs/dbraw/zinc/35/76/13/518357613.db2.gz AOWZJYJAZPFMOT-IRXDYDNUSA-N 2 2 374.554 2.761 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000564697036 518568559 /nfs/dbraw/zinc/56/85/59/518568559.db2.gz IKVZEJCBBLEDGT-OAHLLOKOSA-N 2 2 365.481 2.933 20 30 FFEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000583378714 519218140 /nfs/dbraw/zinc/21/81/40/519218140.db2.gz IESQQZGTNZEPSW-HZPDHXFCSA-N 2 2 366.868 2.753 20 30 FFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000569120523 519388831 /nfs/dbraw/zinc/38/88/31/519388831.db2.gz JKEMNSMTWFSMHX-IBGZPJMESA-N 2 2 360.498 2.947 20 30 FFEDLP CCc1ccc([C@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000580908185 519421176 /nfs/dbraw/zinc/42/11/76/519421176.db2.gz HHPVCXLCIFLKHZ-UNMCSNQZSA-N 2 2 367.493 2.753 20 30 FFEDLP Cc1c[nH+]c2cc(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)ccn12 ZINC000594372628 519923221 /nfs/dbraw/zinc/92/32/21/519923221.db2.gz LKLJJWDBRRMDIK-UHFFFAOYSA-N 2 2 373.460 2.909 20 30 FFEDLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438204 519964929 /nfs/dbraw/zinc/96/49/29/519964929.db2.gz HQFYGSSLDWLDAL-SFHVURJKSA-N 2 2 357.502 2.558 20 30 FFEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1=O ZINC000594499435 520004640 /nfs/dbraw/zinc/00/46/40/520004640.db2.gz GVVVSEXQVPMZOG-SFHVURJKSA-N 2 2 365.481 2.502 20 30 FFEDLP N#C[C@@H]1CCC[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)C1 ZINC000613255776 520413056 /nfs/dbraw/zinc/41/30/56/520413056.db2.gz HHCBSTJOOSHXGQ-HZPDHXFCSA-N 2 2 353.470 2.932 20 30 FFEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600718311 520419743 /nfs/dbraw/zinc/41/97/43/520419743.db2.gz PJGYAYTWPFOIFZ-SFHVURJKSA-N 2 2 364.449 2.636 20 30 FFEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000600720151 520420097 /nfs/dbraw/zinc/42/00/97/520420097.db2.gz GSAQAWSEHJNIKD-LEWJYISDSA-N 2 2 371.525 2.702 20 30 FFEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCOCC1 ZINC000600720151 520420106 /nfs/dbraw/zinc/42/01/06/520420106.db2.gz GSAQAWSEHJNIKD-LEWJYISDSA-N 2 2 371.525 2.702 20 30 FFEDLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598612794 520743010 /nfs/dbraw/zinc/74/30/10/520743010.db2.gz DCIDHHAXPCUEIR-HOTGVXAUSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598612794 520743012 /nfs/dbraw/zinc/74/30/12/520743012.db2.gz DCIDHHAXPCUEIR-HOTGVXAUSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598612794 520743017 /nfs/dbraw/zinc/74/30/17/520743017.db2.gz DCIDHHAXPCUEIR-HOTGVXAUSA-N 2 2 350.532 2.506 20 30 FFEDLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598612794 520743019 /nfs/dbraw/zinc/74/30/19/520743019.db2.gz DCIDHHAXPCUEIR-HOTGVXAUSA-N 2 2 350.532 2.506 20 30 FFEDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599372789 521181952 /nfs/dbraw/zinc/18/19/52/521181952.db2.gz MHOAVUXBMWFRIJ-NHCUHLMSSA-N 2 2 373.541 2.804 20 30 FFEDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000599372789 521181958 /nfs/dbraw/zinc/18/19/58/521181958.db2.gz MHOAVUXBMWFRIJ-NHCUHLMSSA-N 2 2 373.541 2.804 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593968427 521321600 /nfs/dbraw/zinc/32/16/00/521321600.db2.gz KUSWHJISPHKXQJ-JKSUJKDBSA-N 2 2 369.444 2.684 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593968427 521321610 /nfs/dbraw/zinc/32/16/10/521321610.db2.gz KUSWHJISPHKXQJ-JKSUJKDBSA-N 2 2 369.444 2.684 20 30 FFEDLP C=CCC1([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCOCC1 ZINC000631173285 523436612 /nfs/dbraw/zinc/43/66/12/523436612.db2.gz LPJCLRHGUGULNN-UHFFFAOYSA-N 2 2 360.498 2.613 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001164815011 720153302 /nfs/dbraw/zinc/15/33/02/720153302.db2.gz GMZHNCGJFJRURD-UTKZUKDTSA-N 2 2 365.481 2.619 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001164815011 720153305 /nfs/dbraw/zinc/15/33/05/720153305.db2.gz GMZHNCGJFJRURD-UTKZUKDTSA-N 2 2 365.481 2.619 20 30 FFEDLP N#Cc1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cs1 ZINC000921592480 738009609 /nfs/dbraw/zinc/00/96/09/738009609.db2.gz OUKAZZMKQANDHI-UHFFFAOYSA-N 2 2 357.479 2.621 20 30 FFEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)cc1Cl ZINC000931514482 739278080 /nfs/dbraw/zinc/27/80/80/739278080.db2.gz SDBWYVWTMCPXGN-UHFFFAOYSA-N 2 2 355.829 2.576 20 30 FFEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1Cl ZINC000931514482 739278085 /nfs/dbraw/zinc/27/80/85/739278085.db2.gz SDBWYVWTMCPXGN-UHFFFAOYSA-N 2 2 355.829 2.576 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004466311 742233280 /nfs/dbraw/zinc/23/32/80/742233280.db2.gz UMCDFTCMVOOWOJ-NUJGCVRESA-N 2 2 362.905 2.969 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001004466311 742233281 /nfs/dbraw/zinc/23/32/81/742233281.db2.gz UMCDFTCMVOOWOJ-NUJGCVRESA-N 2 2 362.905 2.969 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004466311 742233282 /nfs/dbraw/zinc/23/32/82/742233282.db2.gz UMCDFTCMVOOWOJ-NUJGCVRESA-N 2 2 362.905 2.969 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001004466311 742233283 /nfs/dbraw/zinc/23/32/83/742233283.db2.gz UMCDFTCMVOOWOJ-NUJGCVRESA-N 2 2 362.905 2.969 20 30 FFEDLP C[NH+]=C(NCc1ccco1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000849103332 749051115 /nfs/dbraw/zinc/05/11/15/749051115.db2.gz OEEXTZHSMCKGLJ-KRWDZBQOSA-N 2 2 358.511 2.562 20 30 FFEDLP C[NH+]=C(NCc1ccco1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000849103332 749051121 /nfs/dbraw/zinc/05/11/21/749051121.db2.gz OEEXTZHSMCKGLJ-KRWDZBQOSA-N 2 2 358.511 2.562 20 30 FFEDLP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023374345 967751768 /nfs/dbraw/zinc/75/17/68/967751768.db2.gz NIPFDPNIZNCJSU-GUDVDZBRSA-N 2 2 356.514 2.558 20 30 FFEDLP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023374345 967751777 /nfs/dbraw/zinc/75/17/77/967751777.db2.gz NIPFDPNIZNCJSU-GUDVDZBRSA-N 2 2 356.514 2.558 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC001088158755 973237965 /nfs/dbraw/zinc/23/79/65/973237965.db2.gz IQUNFZADOQWJGJ-MOPGFXCFSA-N 2 2 350.466 2.842 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC001088158755 973237973 /nfs/dbraw/zinc/23/79/73/973237973.db2.gz IQUNFZADOQWJGJ-MOPGFXCFSA-N 2 2 350.466 2.842 20 30 FFEDLP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075993278 976043407 /nfs/dbraw/zinc/04/34/07/976043407.db2.gz MJMAVPXYQCETLN-RBBKRZOGSA-N 2 2 370.456 2.532 20 30 FFEDLP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075993278 976043422 /nfs/dbraw/zinc/04/34/22/976043422.db2.gz MJMAVPXYQCETLN-RBBKRZOGSA-N 2 2 370.456 2.532 20 30 FFEDLP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159968897 979476653 /nfs/dbraw/zinc/47/66/53/979476653.db2.gz RYMIHKAIEIANNB-QTMHVTGLSA-N 2 2 371.529 2.689 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C#N)ccc3F)CC2)CC1 ZINC000888371873 985547068 /nfs/dbraw/zinc/54/70/68/985547068.db2.gz FVRSNHGCLJWMMY-UHFFFAOYSA-N 2 2 373.476 2.721 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C#N)ccc3F)CC2)CC1 ZINC000888371873 985547075 /nfs/dbraw/zinc/54/70/75/985547075.db2.gz FVRSNHGCLJWMMY-UHFFFAOYSA-N 2 2 373.476 2.721 20 30 FFEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000997590345 985577770 /nfs/dbraw/zinc/57/77/70/985577770.db2.gz YDWDAPUHLZSCTB-ZIFCJYIRSA-N 2 2 356.514 2.557 20 30 FFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106342715 987988388 /nfs/dbraw/zinc/98/83/88/987988388.db2.gz ARWIEEJOQLKCMX-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089495185 990635377 /nfs/dbraw/zinc/63/53/77/990635377.db2.gz VAJYXSUUKIPNQO-ARFHVFGLSA-N 2 2 364.921 2.883 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089495185 990635379 /nfs/dbraw/zinc/63/53/79/990635379.db2.gz VAJYXSUUKIPNQO-ARFHVFGLSA-N 2 2 364.921 2.883 20 30 FFEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1ccccc1F ZINC001079299453 991955786 /nfs/dbraw/zinc/95/57/86/991955786.db2.gz QOSPSBLUTHSVMO-OXJNMPFZSA-N 2 2 362.408 2.533 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1ccccc1 ZINC001081133778 993690686 /nfs/dbraw/zinc/69/06/86/993690686.db2.gz FBCSMNQGKNDYSY-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000768675030 1000323340 /nfs/dbraw/zinc/32/33/40/1000323340.db2.gz VYLZRAMYCKHDMB-CGTJXYLNSA-N 2 2 367.534 2.545 20 30 FFEDLP C=CC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000771767184 1001207742 /nfs/dbraw/zinc/20/77/42/1001207742.db2.gz WQHXIGAAZCCENG-UXHICEINSA-N 2 2 371.529 2.509 20 30 FFEDLP C=CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000771767184 1001207747 /nfs/dbraw/zinc/20/77/47/1001207747.db2.gz WQHXIGAAZCCENG-UXHICEINSA-N 2 2 371.529 2.509 20 30 FFEDLP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001086944025 1001334457 /nfs/dbraw/zinc/33/44/57/1001334457.db2.gz LWTXCMWDUKPNET-KZNAEPCWSA-N 2 2 356.514 2.803 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086595410 1002599455 /nfs/dbraw/zinc/59/94/55/1002599455.db2.gz ABGXHMDXWODKQT-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086595410 1002599467 /nfs/dbraw/zinc/59/94/67/1002599467.db2.gz ABGXHMDXWODKQT-HSALFYBXSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086609019 1003170356 /nfs/dbraw/zinc/17/03/56/1003170356.db2.gz LQIQREXFKMKNSV-CMKODMSKSA-N 2 2 364.493 2.990 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086609019 1003170365 /nfs/dbraw/zinc/17/03/65/1003170365.db2.gz LQIQREXFKMKNSV-CMKODMSKSA-N 2 2 364.493 2.990 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001110740720 1008314835 /nfs/dbraw/zinc/31/48/35/1008314835.db2.gz AHWPEXLZCXITFF-CUDHKJQZSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001110740720 1008314839 /nfs/dbraw/zinc/31/48/39/1008314839.db2.gz AHWPEXLZCXITFF-CUDHKJQZSA-N 2 2 356.514 2.913 20 30 FFEDLP C#C[C@H](CCC)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000820647141 1008362221 /nfs/dbraw/zinc/36/22/21/1008362221.db2.gz OCZQJYSZJPDVRW-MISYRCLQSA-N 2 2 362.562 2.767 20 30 FFEDLP C#C[C@H](CCC)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000820647141 1008362227 /nfs/dbraw/zinc/36/22/27/1008362227.db2.gz OCZQJYSZJPDVRW-MISYRCLQSA-N 2 2 362.562 2.767 20 30 FFEDLP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)c3c(C)cc(C)[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001093460042 1010286397 /nfs/dbraw/zinc/28/63/97/1010286397.db2.gz XPRMFDMSWAKSMM-HROGELHOSA-N 2 2 371.525 2.773 20 30 FFEDLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(C#N)c1O ZINC000866255970 1010962738 /nfs/dbraw/zinc/96/27/38/1010962738.db2.gz HXPGDKGHUCQFTC-LAUBAEHRSA-N 2 2 364.493 2.903 20 30 FFEDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304618 1011737694 /nfs/dbraw/zinc/73/76/94/1011737694.db2.gz OKZOPPJFTSQTMF-UGKGYDQZSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304618 1011737705 /nfs/dbraw/zinc/73/77/05/1011737705.db2.gz OKZOPPJFTSQTMF-UGKGYDQZSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304618 1011737717 /nfs/dbraw/zinc/73/77/17/1011737717.db2.gz OKZOPPJFTSQTMF-UGKGYDQZSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)C1 ZINC001172304618 1011737726 /nfs/dbraw/zinc/73/77/26/1011737726.db2.gz OKZOPPJFTSQTMF-UGKGYDQZSA-N 2 2 371.525 2.550 20 30 FFEDLP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000122834036 1012003071 /nfs/dbraw/zinc/00/30/71/1012003071.db2.gz VWSAHKCTYIGDGQ-UHFFFAOYSA-N 2 2 350.462 2.821 20 30 FFEDLP CN(C(=O)C#Cc1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827685475 1018611099 /nfs/dbraw/zinc/61/10/99/1018611099.db2.gz NKISKQCRPXKYPK-VQTJNVASSA-N 2 2 373.566 2.895 20 30 FFEDLP CN(C(=O)C#Cc1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827685475 1018611104 /nfs/dbraw/zinc/61/11/04/1018611104.db2.gz NKISKQCRPXKYPK-VQTJNVASSA-N 2 2 373.566 2.895 20 30 FFEDLP COCC[NH+](CCOC)C1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000930467133 1020045236 /nfs/dbraw/zinc/04/52/36/1020045236.db2.gz NNMPNSPNYOLJBA-UHFFFAOYSA-N 2 2 359.514 2.734 20 30 FFEDLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001098401623 1020875397 /nfs/dbraw/zinc/87/53/97/1020875397.db2.gz HMLUBPJJEJOPGD-AQNXPRMDSA-N 2 2 371.912 2.509 20 30 FFEDLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001098401623 1020875401 /nfs/dbraw/zinc/87/54/01/1020875401.db2.gz HMLUBPJJEJOPGD-AQNXPRMDSA-N 2 2 371.912 2.509 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001098911337 1021392962 /nfs/dbraw/zinc/39/29/62/1021392962.db2.gz SHKVTYOFTJZSLR-WWMYMODYSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001098911337 1021392979 /nfs/dbraw/zinc/39/29/79/1021392979.db2.gz SHKVTYOFTJZSLR-WWMYMODYSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001098911337 1021392993 /nfs/dbraw/zinc/39/29/93/1021392993.db2.gz SHKVTYOFTJZSLR-WWMYMODYSA-N 2 2 356.514 2.760 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001098911337 1021393010 /nfs/dbraw/zinc/39/30/10/1021393010.db2.gz SHKVTYOFTJZSLR-WWMYMODYSA-N 2 2 356.514 2.760 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccc(F)cc3)CC2)c1 ZINC001120503511 1023342620 /nfs/dbraw/zinc/34/26/20/1023342620.db2.gz SJXIZSAIFVTARU-NRFANRHFSA-N 2 2 353.441 2.985 20 30 FFEDLP CN(C(=O)C#Cc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755216021 1023579737 /nfs/dbraw/zinc/57/97/37/1023579737.db2.gz ZDXIQTAHUCWNMP-VXKWHMMOSA-N 2 2 367.537 2.834 20 30 FFEDLP CN(C(=O)C#Cc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755216021 1023579740 /nfs/dbraw/zinc/57/97/40/1023579740.db2.gz ZDXIQTAHUCWNMP-VXKWHMMOSA-N 2 2 367.537 2.834 20 30 FFEDLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C#N)ccc1F ZINC001111303996 1023706440 /nfs/dbraw/zinc/70/64/40/1023706440.db2.gz LATHYSXIDXRBHL-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C#N)ccc1F ZINC001111303996 1023706446 /nfs/dbraw/zinc/70/64/46/1023706446.db2.gz LATHYSXIDXRBHL-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111303996 1023706452 /nfs/dbraw/zinc/70/64/52/1023706452.db2.gz LATHYSXIDXRBHL-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111303996 1023706456 /nfs/dbraw/zinc/70/64/56/1023706456.db2.gz LATHYSXIDXRBHL-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP C[NH+]1CCN(C2C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)CC1 ZINC001141296060 1025784380 /nfs/dbraw/zinc/78/43/80/1025784380.db2.gz SXJBSRWMMRTAFX-UHFFFAOYSA-N 2 2 362.477 2.782 20 30 FFEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001153413817 1027869726 /nfs/dbraw/zinc/86/97/26/1027869726.db2.gz UOBRSVACTDQHBM-GUDVDZBRSA-N 2 2 358.530 2.947 20 30 FFEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001153413817 1027869741 /nfs/dbraw/zinc/86/97/41/1027869741.db2.gz UOBRSVACTDQHBM-GUDVDZBRSA-N 2 2 358.530 2.947 20 30 FFEDLP N#CN=C(Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)c1ccncc1 ZINC001164509943 1029305243 /nfs/dbraw/zinc/30/52/43/1029305243.db2.gz FZFPMTVJBNKQQF-KRWDZBQOSA-N 2 2 359.437 2.895 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903520 1029705698 /nfs/dbraw/zinc/70/56/98/1029705698.db2.gz AIVQVESMPBIGSZ-WMZOPIPTSA-N 2 2 350.894 2.695 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903520 1029705706 /nfs/dbraw/zinc/70/57/06/1029705706.db2.gz AIVQVESMPBIGSZ-WMZOPIPTSA-N 2 2 350.894 2.695 20 30 FFEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)C2 ZINC001112358910 1030650163 /nfs/dbraw/zinc/65/01/63/1030650163.db2.gz ZOIVCSDUYLPVFO-MOXWOTFGSA-N 2 2 368.525 2.558 20 30 FFEDLP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001205313929 1031666173 /nfs/dbraw/zinc/66/61/73/1031666173.db2.gz MGDIXQOOSXBBHH-IEBWSBKVSA-N 2 2 356.514 2.558 20 30 FFEDLP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001205321864 1031670016 /nfs/dbraw/zinc/67/00/16/1031670016.db2.gz MNWSSTWQTLOZMJ-IEBWSBKVSA-N 2 2 356.514 2.558 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001205439592 1031746085 /nfs/dbraw/zinc/74/60/85/1031746085.db2.gz BPDYGEPIHJKRNR-UIAACRFSSA-N 2 2 370.472 2.888 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205439592 1031746102 /nfs/dbraw/zinc/74/61/02/1031746102.db2.gz BPDYGEPIHJKRNR-UIAACRFSSA-N 2 2 370.472 2.888 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)c(F)c1 ZINC001226679268 1034785252 /nfs/dbraw/zinc/78/52/52/1034785252.db2.gz ITYRDCABONRKDZ-RTBURBONSA-N 2 2 369.444 2.570 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(OC)ccc2OCC)CC1 ZINC001232386326 1035645480 /nfs/dbraw/zinc/64/54/80/1035645480.db2.gz MECFAMQPBRZHHY-UHFFFAOYSA-N 2 2 373.541 2.886 20 30 FFEDLP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001278894531 1038231793 /nfs/dbraw/zinc/23/17/93/1038231793.db2.gz DTWWIYMXQZQEKT-NRFANRHFSA-N 2 2 356.514 2.503 20 30 FFEDLP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001278894531 1038231802 /nfs/dbraw/zinc/23/18/02/1038231802.db2.gz DTWWIYMXQZQEKT-NRFANRHFSA-N 2 2 356.514 2.503 20 30 FFEDLP COC(=O)C1(C#N)CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208948098 1038601194 /nfs/dbraw/zinc/60/11/94/1038601194.db2.gz NOVQGQALWWYUDO-LJQANCHMSA-N 2 2 355.482 2.677 20 30 FFEDLP COC(=O)C1(C#N)CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208948098 1038601195 /nfs/dbraw/zinc/60/11/95/1038601195.db2.gz NOVQGQALWWYUDO-LJQANCHMSA-N 2 2 355.482 2.677 20 30 FFEDLP C=CCCCCCC[N@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001209437337 1038869268 /nfs/dbraw/zinc/86/92/68/1038869268.db2.gz ILVMYDWAUYZFAO-FQEVSTJZSA-N 2 2 359.562 2.699 20 30 FFEDLP C=CCCCCCC[N@@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001209437337 1038869286 /nfs/dbraw/zinc/86/92/86/1038869286.db2.gz ILVMYDWAUYZFAO-FQEVSTJZSA-N 2 2 359.562 2.699 20 30 FFEDLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)C(C)C ZINC001209585118 1039021693 /nfs/dbraw/zinc/02/16/93/1039021693.db2.gz GFQXLXLRBNFXMN-DUXKGJEZSA-N 2 2 370.541 2.861 20 30 FFEDLP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)C(C)C ZINC001209585118 1039021710 /nfs/dbraw/zinc/02/17/10/1039021710.db2.gz GFQXLXLRBNFXMN-DUXKGJEZSA-N 2 2 370.541 2.861 20 30 FFEDLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)C(C)C ZINC001209585119 1039022136 /nfs/dbraw/zinc/02/21/36/1039022136.db2.gz GFQXLXLRBNFXMN-UIFIKXQLSA-N 2 2 370.541 2.861 20 30 FFEDLP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)C(C)C ZINC001209585119 1039022156 /nfs/dbraw/zinc/02/21/56/1039022156.db2.gz GFQXLXLRBNFXMN-UIFIKXQLSA-N 2 2 370.541 2.861 20 30 FFEDLP C=C1C[C@@H]2CC([N@@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)C[C@H](C1)C2 ZINC001257892403 1039043312 /nfs/dbraw/zinc/04/33/12/1039043312.db2.gz YINWMBKHCRODLV-JWTNVVGKSA-N 2 2 352.486 2.864 20 30 FFEDLP C=C1C[C@@H]2CC([N@H+]3CCCn4nnc(Cn5cc[nH+]c5)c4C3)C[C@H](C1)C2 ZINC001257892403 1039043327 /nfs/dbraw/zinc/04/33/27/1039043327.db2.gz YINWMBKHCRODLV-JWTNVVGKSA-N 2 2 352.486 2.864 20 30 FFEDLP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246142205 1039255034 /nfs/dbraw/zinc/25/50/34/1039255034.db2.gz IGRIRUOKGLPQPW-NYLDSWQDSA-N 3 2 352.526 2.854 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cn(C)nc2[C@H](C)CC)CC1 ZINC001249409505 1040731879 /nfs/dbraw/zinc/73/18/79/1040731879.db2.gz BLWQKRYVARWHCH-LJQANCHMSA-N 2 2 359.562 2.725 20 30 FFEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001261552658 1041305065 /nfs/dbraw/zinc/30/50/65/1041305065.db2.gz ZAVITPTYAYSMHY-MRXNPFEDSA-N 2 2 368.485 2.899 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001215920682 1041909578 /nfs/dbraw/zinc/90/95/78/1041909578.db2.gz PLNNELTXKJPXJC-ZHALLVOQSA-N 2 2 354.498 2.976 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001263300895 1042228536 /nfs/dbraw/zinc/22/85/36/1042228536.db2.gz CNCJTMXVCPAPSB-OKYOBFRVSA-N 2 2 372.561 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001263300895 1042228541 /nfs/dbraw/zinc/22/85/41/1042228541.db2.gz CNCJTMXVCPAPSB-OKYOBFRVSA-N 2 2 372.561 2.787 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCCOC2)C3)cc1C#N ZINC001279617611 1043347372 /nfs/dbraw/zinc/34/73/72/1043347372.db2.gz CUFBGDJIKOMTOO-GHTZIAJQSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C[C@@H]2CCCOC2)C3)cc1C#N ZINC001279617611 1043347378 /nfs/dbraw/zinc/34/73/78/1043347378.db2.gz CUFBGDJIKOMTOO-GHTZIAJQSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C[C@@H]2CCCOC2)C3)cc1C#N ZINC001279617611 1043347391 /nfs/dbraw/zinc/34/73/91/1043347391.db2.gz CUFBGDJIKOMTOO-GHTZIAJQSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C[C@@H]2CCCOC2)C3)cc1C#N ZINC001279617611 1043347403 /nfs/dbraw/zinc/34/74/03/1043347403.db2.gz CUFBGDJIKOMTOO-GHTZIAJQSA-N 2 2 356.514 2.611 20 30 FFEDLP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001318538019 1044736282 /nfs/dbraw/zinc/73/62/82/1044736282.db2.gz OMFACHRVKKDEJE-KZNAEPCWSA-N 2 2 370.884 2.703 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001540484214 1070904460 /nfs/dbraw/zinc/90/44/60/1070904460.db2.gz QXJHWFBXPNHMGL-UHFFFAOYSA-N 2 2 369.431 2.858 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001340263780 1050668576 /nfs/dbraw/zinc/66/85/76/1050668576.db2.gz ISPCSROMHPRLAQ-KURKYZTESA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC001340263780 1050668580 /nfs/dbraw/zinc/66/85/80/1050668580.db2.gz ISPCSROMHPRLAQ-KURKYZTESA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001340263780 1050668583 /nfs/dbraw/zinc/66/85/83/1050668583.db2.gz ISPCSROMHPRLAQ-KURKYZTESA-N 2 2 360.550 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC001340263780 1050668585 /nfs/dbraw/zinc/66/85/85/1050668585.db2.gz ISPCSROMHPRLAQ-KURKYZTESA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001342225564 1050816069 /nfs/dbraw/zinc/81/60/69/1050816069.db2.gz QMMYDGYFHYGOND-KURKYZTESA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001342225564 1050816078 /nfs/dbraw/zinc/81/60/78/1050816078.db2.gz QMMYDGYFHYGOND-KURKYZTESA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001342225564 1050816091 /nfs/dbraw/zinc/81/60/91/1050816091.db2.gz QMMYDGYFHYGOND-KURKYZTESA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001342225564 1050816095 /nfs/dbraw/zinc/81/60/95/1050816095.db2.gz QMMYDGYFHYGOND-KURKYZTESA-N 2 2 358.534 2.541 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccccc3F)CC2)c1 ZINC001336805627 1054243991 /nfs/dbraw/zinc/24/39/91/1054243991.db2.gz VTWRRQDOTFPHSR-NRFANRHFSA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001337157290 1054521351 /nfs/dbraw/zinc/52/13/51/1054521351.db2.gz MBNSGAYQAGFXNW-LAUBAEHRSA-N 2 2 350.466 2.984 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001337157290 1054521364 /nfs/dbraw/zinc/52/13/64/1054521364.db2.gz MBNSGAYQAGFXNW-LAUBAEHRSA-N 2 2 350.466 2.984 20 30 FFEDLP C=CC(C)(C)Cc1nnc(N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)n1C ZINC001338797781 1055825279 /nfs/dbraw/zinc/82/52/79/1055825279.db2.gz PCOFCRRMYAUTSA-UHFFFAOYSA-N 2 2 374.577 2.566 20 30 FFEDLP C=CC(C)(C)Cc1nnc(N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)n1C ZINC001338797781 1055825282 /nfs/dbraw/zinc/82/52/82/1055825282.db2.gz PCOFCRRMYAUTSA-UHFFFAOYSA-N 2 2 374.577 2.566 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001520590414 1059840532 /nfs/dbraw/zinc/84/05/32/1059840532.db2.gz PWQUQGPWKQSRRO-UHFFFAOYSA-N 2 2 358.534 2.515 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001520590414 1059840561 /nfs/dbraw/zinc/84/05/61/1059840561.db2.gz PWQUQGPWKQSRRO-UHFFFAOYSA-N 2 2 358.534 2.515 20 30 FFEDLP CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNCCCn2cc[nH+]c2)c1C ZINC000848419652 1059981315 /nfs/dbraw/zinc/98/13/15/1059981315.db2.gz ZZAMAAXARYZQMD-FQEVSTJZSA-N 2 2 356.518 2.800 20 30 FFEDLP CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNCCCn2cc[nH+]c2)c1C ZINC000848419652 1059981336 /nfs/dbraw/zinc/98/13/36/1059981336.db2.gz ZZAMAAXARYZQMD-FQEVSTJZSA-N 2 2 356.518 2.800 20 30 FFEDLP C#CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC001460816889 1061113120 /nfs/dbraw/zinc/11/31/20/1061113120.db2.gz NXOPHILAYKTWCE-LJQANCHMSA-N 2 2 361.917 2.937 20 30 FFEDLP C#CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC001460816889 1061113126 /nfs/dbraw/zinc/11/31/26/1061113126.db2.gz NXOPHILAYKTWCE-LJQANCHMSA-N 2 2 361.917 2.937 20 30 FFEDLP C=CC[NH+]1CCC(NCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001473981875 1065433226 /nfs/dbraw/zinc/43/32/26/1065433226.db2.gz RJLIKOCDKBKYAO-UHFFFAOYSA-N 2 2 367.440 2.810 20 30 FFEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)o2)c1 ZINC001580074307 1078745503 /nfs/dbraw/zinc/74/55/03/1078745503.db2.gz JCHJGNSORGQMTQ-ZWKOTPCHSA-N 2 2 351.454 2.962 20 30 FFEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[NH2+]C3)o2)c1 ZINC001580074307 1078745506 /nfs/dbraw/zinc/74/55/06/1078745506.db2.gz JCHJGNSORGQMTQ-ZWKOTPCHSA-N 2 2 351.454 2.962 20 30 FFEDLP C[C@](C[NH2+]Cc1ccc(C#N)s1)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001568021379 1077067985 /nfs/dbraw/zinc/06/79/85/1077067985.db2.gz BNLKZSRNDNNBJX-GPMSIDNRSA-N 2 2 369.494 2.521 20 30 FFEDLP C[C@](C[NH2+]Cc1ccc(C#N)s1)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001568021379 1077067991 /nfs/dbraw/zinc/06/79/91/1077067991.db2.gz BNLKZSRNDNNBJX-GPMSIDNRSA-N 2 2 369.494 2.521 20 30 FFEDLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000285700768 257000311 /nfs/dbraw/zinc/00/03/11/257000311.db2.gz OUZBMIBSPIFULR-RAFMOHDBSA-N 2 2 354.498 2.683 20 30 FFEDLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C#N)cc1 ZINC000285700768 257000312 /nfs/dbraw/zinc/00/03/12/257000312.db2.gz OUZBMIBSPIFULR-RAFMOHDBSA-N 2 2 354.498 2.683 20 30 FFEDLP N#Cc1ccc(N2CCC([NH2+]Cc3cccnc3-n3cc[nH+]c3)CC2)cc1 ZINC000285721845 257001180 /nfs/dbraw/zinc/00/11/80/257001180.db2.gz QEJZXBBRLKHGHO-UHFFFAOYSA-N 2 2 358.449 2.898 20 30 FFEDLP C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000409729719 512135706 /nfs/dbraw/zinc/13/57/06/512135706.db2.gz SWFHWAAEBMRGOT-CYBMUJFWSA-N 2 2 367.419 2.577 20 30 FFEDLP C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000409729719 512135710 /nfs/dbraw/zinc/13/57/10/512135710.db2.gz SWFHWAAEBMRGOT-CYBMUJFWSA-N 2 2 367.419 2.577 20 30 FFEDLP NC(=[NH+]OCc1cccc(F)c1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776670 507319992 /nfs/dbraw/zinc/31/99/92/507319992.db2.gz UORKVVVKAXVMRZ-UHFFFAOYSA-N 2 2 357.429 2.620 20 30 FFEDLP N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)c2)c1 ZINC000051187954 507748229 /nfs/dbraw/zinc/74/82/29/507748229.db2.gz SUYSUPXBCSGPDS-NRFANRHFSA-N 2 2 365.477 2.684 20 30 FFEDLP C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369374723 512378453 /nfs/dbraw/zinc/37/84/53/512378453.db2.gz UFKXBOCJNIAXJX-IBGZPJMESA-N 2 2 356.514 2.553 20 30 FFEDLP C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369374723 512378457 /nfs/dbraw/zinc/37/84/57/512378457.db2.gz UFKXBOCJNIAXJX-IBGZPJMESA-N 2 2 356.514 2.553 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961616 508118096 /nfs/dbraw/zinc/11/80/96/508118096.db2.gz AYRYMZVGCYWXJF-IRXDYDNUSA-N 2 2 351.454 2.924 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961616 508118098 /nfs/dbraw/zinc/11/80/98/508118098.db2.gz AYRYMZVGCYWXJF-IRXDYDNUSA-N 2 2 351.454 2.924 20 30 FFEDLP NC(=[NH+]OCc1ccc(F)cc1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000104054423 508326958 /nfs/dbraw/zinc/32/69/58/508326958.db2.gz MQWABNVPAVLLSN-UHFFFAOYSA-N 2 2 357.429 2.620 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000137460256 508757248 /nfs/dbraw/zinc/75/72/48/508757248.db2.gz OREWIFKTKOHRTO-WMZOPIPTSA-N 2 2 367.534 2.641 20 30 FFEDLP C[N@H+](CCN1CC[NH+](CC#Cc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000160118999 508941504 /nfs/dbraw/zinc/94/15/04/508941504.db2.gz UGDQWDISBAZEIY-UHFFFAOYSA-N 2 2 365.496 2.927 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](CC#Cc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000160118999 508941508 /nfs/dbraw/zinc/94/15/08/508941508.db2.gz UGDQWDISBAZEIY-UHFFFAOYSA-N 2 2 365.496 2.927 20 30 FFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000191957960 509264399 /nfs/dbraw/zinc/26/43/99/509264399.db2.gz ZIESWSLYQJRAEH-UHFFFAOYSA-N 2 2 358.449 2.770 20 30 FFEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514673 509977871 /nfs/dbraw/zinc/97/78/71/509977871.db2.gz CHACUFXSAORQBC-QUCCMNQESA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514673 509977880 /nfs/dbraw/zinc/97/78/80/509977880.db2.gz CHACUFXSAORQBC-QUCCMNQESA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514673 509977886 /nfs/dbraw/zinc/97/78/86/509977886.db2.gz CHACUFXSAORQBC-QUCCMNQESA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514673 509977896 /nfs/dbraw/zinc/97/78/96/509977896.db2.gz CHACUFXSAORQBC-QUCCMNQESA-N 2 2 354.498 2.717 20 30 FFEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000261957078 510127931 /nfs/dbraw/zinc/12/79/31/510127931.db2.gz JBMJNJILUFGJLH-KRWDZBQOSA-N 2 2 353.470 2.885 20 30 FFEDLP CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261963994 510131094 /nfs/dbraw/zinc/13/10/94/510131094.db2.gz LBNZFOPBJNPRAJ-IPELMVKDSA-N 2 2 373.476 2.604 20 30 FFEDLP Cn1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000190790896 510345537 /nfs/dbraw/zinc/34/55/37/510345537.db2.gz PQTUHQKICIJXOX-UHFFFAOYSA-N 2 2 365.525 2.584 20 30 FFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000191478630 510681291 /nfs/dbraw/zinc/68/12/91/510681291.db2.gz UEQQDVOKOLNDGR-UHFFFAOYSA-N 2 2 374.510 2.503 20 30 FFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000191478630 510681298 /nfs/dbraw/zinc/68/12/98/510681298.db2.gz UEQQDVOKOLNDGR-UHFFFAOYSA-N 2 2 374.510 2.503 20 30 FFEDLP COc1cc(C)[nH+]c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000270304496 510753412 /nfs/dbraw/zinc/75/34/12/510753412.db2.gz OWHFWZXWESODTO-UHFFFAOYSA-N 2 2 350.466 2.978 20 30 FFEDLP COc1cc(C)[nH+]c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000270304496 510753417 /nfs/dbraw/zinc/75/34/17/510753417.db2.gz OWHFWZXWESODTO-UHFFFAOYSA-N 2 2 350.466 2.978 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246994447 510787796 /nfs/dbraw/zinc/78/77/96/510787796.db2.gz ICYLVHYYBKYJCQ-AZUAARDMSA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246994447 510787799 /nfs/dbraw/zinc/78/77/99/510787799.db2.gz ICYLVHYYBKYJCQ-AZUAARDMSA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246994447 510787806 /nfs/dbraw/zinc/78/78/06/510787806.db2.gz ICYLVHYYBKYJCQ-AZUAARDMSA-N 2 2 356.514 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246994447 510787813 /nfs/dbraw/zinc/78/78/13/510787813.db2.gz ICYLVHYYBKYJCQ-AZUAARDMSA-N 2 2 356.514 2.733 20 30 FFEDLP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CC[C@H]21 ZINC000330131070 510921523 /nfs/dbraw/zinc/92/15/23/510921523.db2.gz PLZJQSUEEFHLRT-CZUORRHYSA-N 2 2 361.877 2.818 20 30 FFEDLP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)CC[C@H]21 ZINC000330131070 510921527 /nfs/dbraw/zinc/92/15/27/510921527.db2.gz PLZJQSUEEFHLRT-CZUORRHYSA-N 2 2 361.877 2.818 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330201412 510936696 /nfs/dbraw/zinc/93/66/96/510936696.db2.gz XSWGROUKCLHLLH-IEBWSBKVSA-N 2 2 367.497 2.708 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330201412 510936699 /nfs/dbraw/zinc/93/66/99/510936699.db2.gz XSWGROUKCLHLLH-IEBWSBKVSA-N 2 2 367.497 2.708 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282517148 511009708 /nfs/dbraw/zinc/00/97/08/511009708.db2.gz PEUYHGMZONGTSN-QUCCMNQESA-N 2 2 370.541 2.885 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282517148 511009711 /nfs/dbraw/zinc/00/97/11/511009711.db2.gz PEUYHGMZONGTSN-QUCCMNQESA-N 2 2 370.541 2.885 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292100701 511465858 /nfs/dbraw/zinc/46/58/58/511465858.db2.gz HVOHTYVIOLVRIN-SIKLNZKXSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292100701 511465863 /nfs/dbraw/zinc/46/58/63/511465863.db2.gz HVOHTYVIOLVRIN-SIKLNZKXSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292100701 511465867 /nfs/dbraw/zinc/46/58/67/511465867.db2.gz HVOHTYVIOLVRIN-SIKLNZKXSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292100701 511465868 /nfs/dbraw/zinc/46/58/68/511465868.db2.gz HVOHTYVIOLVRIN-SIKLNZKXSA-N 2 2 368.525 2.966 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328884313 511945520 /nfs/dbraw/zinc/94/55/20/511945520.db2.gz YLVFYSNEJCVSHD-BEFAXECRSA-N 2 2 350.507 2.996 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328884313 511945521 /nfs/dbraw/zinc/94/55/21/511945521.db2.gz YLVFYSNEJCVSHD-BEFAXECRSA-N 2 2 350.507 2.996 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000328884313 511945522 /nfs/dbraw/zinc/94/55/22/511945522.db2.gz YLVFYSNEJCVSHD-BEFAXECRSA-N 2 2 350.507 2.996 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328884313 511945523 /nfs/dbraw/zinc/94/55/23/511945523.db2.gz YLVFYSNEJCVSHD-BEFAXECRSA-N 2 2 350.507 2.996 20 30 FFEDLP C[C@@H]1[C@H](C)N(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC[N@H+]1C ZINC000329131622 511990264 /nfs/dbraw/zinc/99/02/64/511990264.db2.gz XXCLLMVDZFFZFB-KGLIPLIRSA-N 2 2 351.520 2.699 20 30 FFEDLP C[C@@H]1[C@H](C)N(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC[N@@H+]1C ZINC000329131622 511990269 /nfs/dbraw/zinc/99/02/69/511990269.db2.gz XXCLLMVDZFFZFB-KGLIPLIRSA-N 2 2 351.520 2.699 20 30 FFEDLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000329586680 512074666 /nfs/dbraw/zinc/07/46/66/512074666.db2.gz YLWWCENEOFGVRK-XJKSGUPXSA-N 2 2 361.877 2.818 20 30 FFEDLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000329586680 512074668 /nfs/dbraw/zinc/07/46/68/512074668.db2.gz YLWWCENEOFGVRK-XJKSGUPXSA-N 2 2 361.877 2.818 20 30 FFEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)[nH+]1 ZINC000369900814 512672655 /nfs/dbraw/zinc/67/26/55/512672655.db2.gz QRURUXLZWGYCIU-HNNXBMFYSA-N 2 2 355.467 2.838 20 30 FFEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)[nH+]1 ZINC000369900814 512672658 /nfs/dbraw/zinc/67/26/58/512672658.db2.gz QRURUXLZWGYCIU-HNNXBMFYSA-N 2 2 355.467 2.838 20 30 FFEDLP C=C(CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000377031899 513095321 /nfs/dbraw/zinc/09/53/21/513095321.db2.gz PJVQVAXRHCRFOQ-WCRBZPEASA-N 2 2 368.525 2.652 20 30 FFEDLP C=C(CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000377031899 513095325 /nfs/dbraw/zinc/09/53/25/513095325.db2.gz PJVQVAXRHCRFOQ-WCRBZPEASA-N 2 2 368.525 2.652 20 30 FFEDLP Cc1cc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C#N)c[nH+]1 ZINC000425207974 513453038 /nfs/dbraw/zinc/45/30/38/513453038.db2.gz NRRZOGJORKOILL-IRXDYDNUSA-N 2 2 350.466 2.905 20 30 FFEDLP C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000413812612 513827692 /nfs/dbraw/zinc/82/76/92/513827692.db2.gz CFGHLOWTINDMNG-HXUWFJFHSA-N 2 2 372.557 2.841 20 30 FFEDLP C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000413812612 513827695 /nfs/dbraw/zinc/82/76/95/513827695.db2.gz CFGHLOWTINDMNG-HXUWFJFHSA-N 2 2 372.557 2.841 20 30 FFEDLP C=CC[C@H]1N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCCC1(C)C ZINC000445223344 514446015 /nfs/dbraw/zinc/44/60/15/514446015.db2.gz LQUAKXJGGQECSM-GOSISDBHSA-N 2 2 350.551 2.789 20 30 FFEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1CCCCC1 ZINC000484539062 514679395 /nfs/dbraw/zinc/67/93/95/514679395.db2.gz BFPWASVZQYASCE-UHFFFAOYSA-N 2 2 359.514 2.992 20 30 FFEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)CC1CCCCC1 ZINC000484539062 514679399 /nfs/dbraw/zinc/67/93/99/514679399.db2.gz BFPWASVZQYASCE-UHFFFAOYSA-N 2 2 359.514 2.992 20 30 FFEDLP C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000508490380 514796439 /nfs/dbraw/zinc/79/64/39/514796439.db2.gz QFLWQLJICMGLMJ-SFHVURJKSA-N 2 2 374.577 2.972 20 30 FFEDLP C=CCn1c(CCCC)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000508867105 514927319 /nfs/dbraw/zinc/92/73/19/514927319.db2.gz OHZPHJYUOYKHFX-UHFFFAOYSA-N 2 2 374.577 2.802 20 30 FFEDLP COc1c(C)c[nH+]c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000522862298 516334777 /nfs/dbraw/zinc/33/47/77/516334777.db2.gz JXQIRAXPJQZQNF-UHFFFAOYSA-N 2 2 350.466 2.897 20 30 FFEDLP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000563083120 517645118 /nfs/dbraw/zinc/64/51/18/517645118.db2.gz RGLSFBHVSDYMRN-CRAIPNDOSA-N 2 2 366.469 2.534 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 ZINC000542685534 517685818 /nfs/dbraw/zinc/68/58/18/517685818.db2.gz KDTASVCTLIEBRA-UHFFFAOYSA-N 2 2 360.889 2.500 20 30 FFEDLP N#Cc1cccc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000546966105 517937230 /nfs/dbraw/zinc/93/72/30/517937230.db2.gz PUPCUMTYBIPTHV-UHFFFAOYSA-N 2 2 350.451 2.523 20 30 FFEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000575475009 518225569 /nfs/dbraw/zinc/22/55/69/518225569.db2.gz ONFVYWLJXMNDBU-QGZVFWFLSA-N 2 2 362.477 2.650 20 30 FFEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000576181973 518467665 /nfs/dbraw/zinc/46/76/65/518467665.db2.gz NAAYUCWJDYXQQB-SFHVURJKSA-N 2 2 364.449 2.636 20 30 FFEDLP C[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000578990990 518469574 /nfs/dbraw/zinc/46/95/74/518469574.db2.gz AMBYOJFUEQLQAT-QGZVFWFLSA-N 2 2 351.454 2.509 20 30 FFEDLP CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579593667 518756795 /nfs/dbraw/zinc/75/67/95/518756795.db2.gz BCMSRJXRESAMGC-LJQANCHMSA-N 2 2 374.492 2.945 20 30 FFEDLP CC[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579593667 518756800 /nfs/dbraw/zinc/75/68/00/518756800.db2.gz BCMSRJXRESAMGC-LJQANCHMSA-N 2 2 374.492 2.945 20 30 FFEDLP CC[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579593667 518756805 /nfs/dbraw/zinc/75/68/05/518756805.db2.gz BCMSRJXRESAMGC-LJQANCHMSA-N 2 2 374.492 2.945 20 30 FFEDLP CC[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579593667 518756812 /nfs/dbraw/zinc/75/68/12/518756812.db2.gz BCMSRJXRESAMGC-LJQANCHMSA-N 2 2 374.492 2.945 20 30 FFEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000573886498 518882008 /nfs/dbraw/zinc/88/20/08/518882008.db2.gz QLYSBISOUBUVQS-MRXNPFEDSA-N 2 2 355.404 2.759 20 30 FFEDLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000583810185 519446836 /nfs/dbraw/zinc/44/68/36/519446836.db2.gz ACSMFZCSKYYVHV-ROUUACIJSA-N 2 2 364.440 2.581 20 30 FFEDLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C)C1 ZINC000594442696 519968086 /nfs/dbraw/zinc/96/80/86/519968086.db2.gz HXDLQHQQUWMNOR-HKUYNNGSSA-N 2 2 372.513 2.529 20 30 FFEDLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C)C1 ZINC000594442696 519968096 /nfs/dbraw/zinc/96/80/96/519968096.db2.gz HXDLQHQQUWMNOR-HKUYNNGSSA-N 2 2 372.513 2.529 20 30 FFEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000594469642 519981509 /nfs/dbraw/zinc/98/15/09/519981509.db2.gz JZOVZMIYOQQDLP-INIZCTEOSA-N 2 2 353.470 2.755 20 30 FFEDLP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000600736113 520435643 /nfs/dbraw/zinc/43/56/43/520435643.db2.gz QKODQHASDBLQQU-SCWSEQNSSA-N 2 2 353.466 2.579 20 30 FFEDLP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4[nH+]c[nH]c4C3)sc2C1 ZINC000599429745 521218391 /nfs/dbraw/zinc/21/83/91/521218391.db2.gz JKDFZPPEHOLRKZ-GFCCVEGCSA-N 2 2 369.494 2.855 20 30 FFEDLP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4[nH+]c[nH]c4C3)sc2C1 ZINC000599429745 521218399 /nfs/dbraw/zinc/21/83/99/521218399.db2.gz JKDFZPPEHOLRKZ-GFCCVEGCSA-N 2 2 369.494 2.855 20 30 FFEDLP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH]1 ZINC000602707752 521490279 /nfs/dbraw/zinc/49/02/79/521490279.db2.gz UNKRONNSSMLXEH-UHFFFAOYSA-N 2 2 366.465 2.817 20 30 FFEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NCc1cc(F)ccc1F ZINC000080750754 728332264 /nfs/dbraw/zinc/33/22/64/728332264.db2.gz XIZITAFCMUTDMX-UHFFFAOYSA-N 2 2 364.465 2.750 20 30 FFEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NCc1cc(F)ccc1F ZINC000080750754 728332267 /nfs/dbraw/zinc/33/22/67/728332267.db2.gz XIZITAFCMUTDMX-UHFFFAOYSA-N 2 2 364.465 2.750 20 30 FFEDLP O[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000883360960 733373359 /nfs/dbraw/zinc/37/33/59/733373359.db2.gz PSJMGVMJWZGAAR-SECBINFHSA-N 2 2 358.273 2.551 20 30 FFEDLP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001112498449 963008118 /nfs/dbraw/zinc/00/81/18/963008118.db2.gz KAPUDMGCWWAAEF-RXVVDRJESA-N 2 2 350.466 2.890 20 30 FFEDLP CC[NH+]1CCC([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000157460930 967656987 /nfs/dbraw/zinc/65/69/87/967656987.db2.gz KXIHOAXARWBJNN-KRWDZBQOSA-N 2 2 363.465 2.640 20 30 FFEDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000157460930 967656999 /nfs/dbraw/zinc/65/69/99/967656999.db2.gz KXIHOAXARWBJNN-KRWDZBQOSA-N 2 2 363.465 2.640 20 30 FFEDLP C#CCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162207963 968075120 /nfs/dbraw/zinc/07/51/20/968075120.db2.gz PWAOLPPDHAGEEZ-PMACEKPBSA-N 2 2 362.562 2.769 20 30 FFEDLP C#CCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162207963 968075127 /nfs/dbraw/zinc/07/51/27/968075127.db2.gz PWAOLPPDHAGEEZ-PMACEKPBSA-N 2 2 362.562 2.769 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccc(C)cc2)[C@@H]1CC ZINC001087606944 968340638 /nfs/dbraw/zinc/34/06/38/968340638.db2.gz AWPSLOUFFYGZSQ-BDTNDASRSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccc(C)cc2)[C@@H]1CC ZINC001087606944 968340648 /nfs/dbraw/zinc/34/06/48/968340648.db2.gz AWPSLOUFFYGZSQ-BDTNDASRSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccc(C)cc2)[C@@H]1CC ZINC001087606944 968340659 /nfs/dbraw/zinc/34/06/59/968340659.db2.gz AWPSLOUFFYGZSQ-BDTNDASRSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccc(C)cc2)[C@@H]1CC ZINC001087606944 968340672 /nfs/dbraw/zinc/34/06/72/968340672.db2.gz AWPSLOUFFYGZSQ-BDTNDASRSA-N 2 2 367.537 2.604 20 30 FFEDLP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447891 974524855 /nfs/dbraw/zinc/52/48/55/974524855.db2.gz BDMADUKFMVAXJM-GUDVDZBRSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447891 974524861 /nfs/dbraw/zinc/52/48/61/974524861.db2.gz BDMADUKFMVAXJM-GUDVDZBRSA-N 2 2 363.465 2.508 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)CC[C@@H]1c1ccccc1 ZINC001087429743 975873024 /nfs/dbraw/zinc/87/30/24/975873024.db2.gz APMGNUOMLPOANP-VSKRKVRLSA-N 2 2 367.537 2.714 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)CC[C@@H]1c1ccccc1 ZINC001087429743 975873033 /nfs/dbraw/zinc/87/30/33/975873033.db2.gz APMGNUOMLPOANP-VSKRKVRLSA-N 2 2 367.537 2.714 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(C)C)CC[C@@H]1c1ccccc1 ZINC001087429743 975873039 /nfs/dbraw/zinc/87/30/39/975873039.db2.gz APMGNUOMLPOANP-VSKRKVRLSA-N 2 2 367.537 2.714 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(C)C)CC[C@@H]1c1ccccc1 ZINC001087429743 975873048 /nfs/dbraw/zinc/87/30/48/975873048.db2.gz APMGNUOMLPOANP-VSKRKVRLSA-N 2 2 367.537 2.714 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001087437931 977171741 /nfs/dbraw/zinc/17/17/41/977171741.db2.gz TVZAODIPLICSLZ-UAFMIMERSA-N 2 2 364.493 2.684 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001087437931 977171744 /nfs/dbraw/zinc/17/17/44/977171744.db2.gz TVZAODIPLICSLZ-UAFMIMERSA-N 2 2 364.493 2.684 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087441532 977484912 /nfs/dbraw/zinc/48/49/12/977484912.db2.gz MSTDPRXAUGSSGV-WOJBJXKFSA-N 2 2 352.482 2.513 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087441532 977484914 /nfs/dbraw/zinc/48/49/14/977484914.db2.gz MSTDPRXAUGSSGV-WOJBJXKFSA-N 2 2 352.482 2.513 20 30 FFEDLP C#CCC1(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000915500908 988765695 /nfs/dbraw/zinc/76/56/95/988765695.db2.gz UGNGEPPPHWIMOO-UHFFFAOYSA-N 2 2 360.546 2.570 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079697928 992335971 /nfs/dbraw/zinc/33/59/71/992335971.db2.gz BOUQGYMBUYSEBM-YLJYHZDGSA-N 2 2 368.525 2.759 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001079697928 992335983 /nfs/dbraw/zinc/33/59/83/992335983.db2.gz BOUQGYMBUYSEBM-YLJYHZDGSA-N 2 2 368.525 2.759 20 30 FFEDLP CC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000880474590 1015845282 /nfs/dbraw/zinc/84/52/82/1015845282.db2.gz ILBRJYCXONYSBX-UHFFFAOYSA-N 2 2 372.538 2.997 20 30 FFEDLP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000822658622 998909208 /nfs/dbraw/zinc/90/92/08/998909208.db2.gz CKELTAXZDIBDCM-LJQANCHMSA-N 2 2 365.481 2.652 20 30 FFEDLP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001169432808 1000049833 /nfs/dbraw/zinc/04/98/33/1000049833.db2.gz PCWSPGQVZAQGAV-KRWDZBQOSA-N 2 2 356.514 2.759 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086595668 1002603381 /nfs/dbraw/zinc/60/33/81/1002603381.db2.gz NNKOQLGDKXINKI-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086595668 1002603388 /nfs/dbraw/zinc/60/33/88/1002603388.db2.gz NNKOQLGDKXINKI-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001086609528 1003200922 /nfs/dbraw/zinc/20/09/22/1003200922.db2.gz LDYOXKKDTUOZIY-NZSAHSFTSA-N 2 2 361.917 2.807 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001086609528 1003200946 /nfs/dbraw/zinc/20/09/46/1003200946.db2.gz LDYOXKKDTUOZIY-NZSAHSFTSA-N 2 2 361.917 2.807 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609528 1003200954 /nfs/dbraw/zinc/20/09/54/1003200954.db2.gz LDYOXKKDTUOZIY-NZSAHSFTSA-N 2 2 361.917 2.807 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001086609528 1003200964 /nfs/dbraw/zinc/20/09/64/1003200964.db2.gz LDYOXKKDTUOZIY-NZSAHSFTSA-N 2 2 361.917 2.807 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\c1ccccc1 ZINC001095555593 1016749090 /nfs/dbraw/zinc/74/90/90/1016749090.db2.gz UQGPDVXASRMLIC-SHFLIDKVSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\c1ccccc1 ZINC001095555593 1016749111 /nfs/dbraw/zinc/74/91/11/1016749111.db2.gz UQGPDVXASRMLIC-SHFLIDKVSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C/C=C\c1ccccc1 ZINC001095555593 1016749122 /nfs/dbraw/zinc/74/91/22/1016749122.db2.gz UQGPDVXASRMLIC-SHFLIDKVSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C/C=C\c1ccccc1 ZINC001095555593 1016749135 /nfs/dbraw/zinc/74/91/35/1016749135.db2.gz UQGPDVXASRMLIC-SHFLIDKVSA-N 2 2 363.505 2.519 20 30 FFEDLP C#Cc1ccc(CNC(=O)c2ccc(C[N@@H+](C)CCC[NH+](C)C)cc2)cc1 ZINC001198036594 1004466610 /nfs/dbraw/zinc/46/66/10/1004466610.db2.gz MEBYMEZQXDQVCY-UHFFFAOYSA-N 2 2 363.505 2.981 20 30 FFEDLP C#Cc1ccc(CNC(=O)c2ccc(C[N@H+](C)CCC[NH+](C)C)cc2)cc1 ZINC001198036594 1004466612 /nfs/dbraw/zinc/46/66/12/1004466612.db2.gz MEBYMEZQXDQVCY-UHFFFAOYSA-N 2 2 363.505 2.981 20 30 FFEDLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001095694100 1017003941 /nfs/dbraw/zinc/00/39/41/1017003941.db2.gz JRFVDLRBWGEQFB-HJNYFJLDSA-N 2 2 370.456 2.721 20 30 FFEDLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC001095694100 1017003949 /nfs/dbraw/zinc/00/39/49/1017003949.db2.gz JRFVDLRBWGEQFB-HJNYFJLDSA-N 2 2 370.456 2.721 20 30 FFEDLP N#Cc1ccc([C@@H](O)C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000819275941 1008097871 /nfs/dbraw/zinc/09/78/71/1008097871.db2.gz XEVKFMJFNAWPPJ-ABHNRTSZSA-N 2 2 367.415 2.987 20 30 FFEDLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 ZINC000886358216 1008649421 /nfs/dbraw/zinc/64/94/21/1008649421.db2.gz RGKGMCZJALARDS-TZIWHRDSSA-N 2 2 357.498 2.554 20 30 FFEDLP O=C(NCCCCCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178744068 1009112410 /nfs/dbraw/zinc/11/24/10/1009112410.db2.gz OIXXSNQWXQHMBP-WOJBJXKFSA-N 2 2 364.493 2.831 20 30 FFEDLP O=C(NCCCCCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178744068 1009112421 /nfs/dbraw/zinc/11/24/21/1009112421.db2.gz OIXXSNQWXQHMBP-WOJBJXKFSA-N 2 2 364.493 2.831 20 30 FFEDLP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093460041 1010286315 /nfs/dbraw/zinc/28/63/15/1010286315.db2.gz XPRMFDMSWAKSMM-DBQGFPOUSA-N 2 2 371.525 2.773 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001095405938 1010455205 /nfs/dbraw/zinc/45/52/05/1010455205.db2.gz FSXPKSMWVYHWKP-MLNNCEHLSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001095405938 1010455209 /nfs/dbraw/zinc/45/52/09/1010455209.db2.gz FSXPKSMWVYHWKP-MLNNCEHLSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095405938 1010455212 /nfs/dbraw/zinc/45/52/12/1010455212.db2.gz FSXPKSMWVYHWKP-MLNNCEHLSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095405938 1010455217 /nfs/dbraw/zinc/45/52/17/1010455217.db2.gz FSXPKSMWVYHWKP-MLNNCEHLSA-N 2 2 365.521 2.632 20 30 FFEDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(C#N)c3O)cn2)CC1 ZINC000866235406 1010958235 /nfs/dbraw/zinc/95/82/35/1010958235.db2.gz CINHABHFVMEOGW-INIZCTEOSA-N 2 2 365.481 2.652 20 30 FFEDLP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cccc(C#N)c1O ZINC000866250420 1010961778 /nfs/dbraw/zinc/96/17/78/1010961778.db2.gz AFVIIGMBKNPUGB-QGZVFWFLSA-N 2 2 365.481 2.522 20 30 FFEDLP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC001094416195 1011100886 /nfs/dbraw/zinc/10/08/86/1011100886.db2.gz IQHKGPNSGKCMNI-WIYYLYMNSA-N 2 2 350.466 2.640 20 30 FFEDLP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c(C)c[nH+]c4c3)CCC[C@@H]12 ZINC001094416195 1011100891 /nfs/dbraw/zinc/10/08/91/1011100891.db2.gz IQHKGPNSGKCMNI-WIYYLYMNSA-N 2 2 350.466 2.640 20 30 FFEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000928654232 1019052407 /nfs/dbraw/zinc/05/24/07/1019052407.db2.gz SCOFPUZVSQDNDG-SFHVURJKSA-N 2 2 368.525 2.707 20 30 FFEDLP Cc1ccc(C#N)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000933627229 1021053423 /nfs/dbraw/zinc/05/34/23/1021053423.db2.gz IYUYDRUDRAELDJ-UHFFFAOYSA-N 2 2 354.498 2.547 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001099029667 1021632640 /nfs/dbraw/zinc/63/26/40/1021632640.db2.gz IABDVLBNSZCDAY-IPELMVKDSA-N 2 2 371.928 2.922 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001099029667 1021632649 /nfs/dbraw/zinc/63/26/49/1021632649.db2.gz IABDVLBNSZCDAY-IPELMVKDSA-N 2 2 371.928 2.922 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029667 1021632653 /nfs/dbraw/zinc/63/26/53/1021632653.db2.gz IABDVLBNSZCDAY-IPELMVKDSA-N 2 2 371.928 2.922 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001099029667 1021632663 /nfs/dbraw/zinc/63/26/63/1021632663.db2.gz IABDVLBNSZCDAY-IPELMVKDSA-N 2 2 371.928 2.922 20 30 FFEDLP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001040211173 1022806199 /nfs/dbraw/zinc/80/61/99/1022806199.db2.gz XOYNKUBKFHDHRX-KNKQGSTJSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001040211173 1022806210 /nfs/dbraw/zinc/80/62/10/1022806210.db2.gz XOYNKUBKFHDHRX-KNKQGSTJSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040403028 1022841248 /nfs/dbraw/zinc/84/12/48/1022841248.db2.gz OBDXSMDPNGPZGZ-DBXWQHBBSA-N 2 2 356.514 2.804 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001040403028 1022841255 /nfs/dbraw/zinc/84/12/55/1022841255.db2.gz OBDXSMDPNGPZGZ-DBXWQHBBSA-N 2 2 356.514 2.804 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C(F)(F)F ZINC001112102536 1030010351 /nfs/dbraw/zinc/01/03/51/1030010351.db2.gz NVISIWKAUODYHP-HUUCEWRRSA-N 2 2 366.387 2.811 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001205439591 1031745892 /nfs/dbraw/zinc/74/58/92/1031745892.db2.gz BPDYGEPIHJKRNR-RYGJVYDSSA-N 2 2 370.472 2.888 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205439591 1031745906 /nfs/dbraw/zinc/74/59/06/1031745906.db2.gz BPDYGEPIHJKRNR-RYGJVYDSSA-N 2 2 370.472 2.888 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001205445571 1031751936 /nfs/dbraw/zinc/75/19/36/1031751936.db2.gz GVOYXLUATRHOKK-ZWKOTPCHSA-N 2 2 356.445 2.642 20 30 FFEDLP N#Cc1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)ccc1N1CCCCC1 ZINC001218948652 1033420845 /nfs/dbraw/zinc/42/08/45/1033420845.db2.gz ZXPFHUVREOXBKU-LJQANCHMSA-N 2 2 363.465 2.759 20 30 FFEDLP N#Cc1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)ccc1N1CCCCC1 ZINC001218948651 1033420917 /nfs/dbraw/zinc/42/09/17/1033420917.db2.gz ZXPFHUVREOXBKU-IBGZPJMESA-N 2 2 363.465 2.759 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684248 1033549799 /nfs/dbraw/zinc/54/97/99/1033549799.db2.gz OKOGXULSTWJLIU-SJORKVTESA-N 2 2 350.894 2.647 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684248 1033549802 /nfs/dbraw/zinc/54/98/02/1033549802.db2.gz OKOGXULSTWJLIU-SJORKVTESA-N 2 2 350.894 2.647 20 30 FFEDLP C#CCOc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001138559840 1034412311 /nfs/dbraw/zinc/41/23/11/1034412311.db2.gz FBEGUMWXACYYER-IBGZPJMESA-N 2 2 370.493 2.548 20 30 FFEDLP C#CCOc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001138559840 1034412316 /nfs/dbraw/zinc/41/23/16/1034412316.db2.gz FBEGUMWXACYYER-IBGZPJMESA-N 2 2 370.493 2.548 20 30 FFEDLP N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCc2[nH]cc[nH+]2)ccc1F ZINC001225936306 1034459277 /nfs/dbraw/zinc/45/92/77/1034459277.db2.gz NUUXVAYXOSYGBI-QZTJIDSGSA-N 2 2 369.444 2.570 20 30 FFEDLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001139876650 1035263947 /nfs/dbraw/zinc/26/39/47/1035263947.db2.gz HVOHPSFIFNHKFF-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001139876650 1035263949 /nfs/dbraw/zinc/26/39/49/1035263949.db2.gz HVOHPSFIFNHKFF-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001139876650 1035263953 /nfs/dbraw/zinc/26/39/53/1035263953.db2.gz HVOHPSFIFNHKFF-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cc(F)cc(C#N)c3)C2)C1 ZINC001139876650 1035263954 /nfs/dbraw/zinc/26/39/54/1035263954.db2.gz HVOHPSFIFNHKFF-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001228853459 1036362645 /nfs/dbraw/zinc/36/26/45/1036362645.db2.gz PNMOMZWRBNTFLG-ZTFGCOKTSA-N 2 2 371.510 2.985 20 30 FFEDLP N#Cc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256081351 1038366599 /nfs/dbraw/zinc/36/65/99/1038366599.db2.gz AKUFRWXFAUEJFZ-UHFFFAOYSA-N 2 2 367.497 2.771 20 30 FFEDLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001257024315 1038680915 /nfs/dbraw/zinc/68/09/15/1038680915.db2.gz ADLUZRCXCRQNPX-AZUAARDMSA-N 2 2 355.482 2.844 20 30 FFEDLP C=C1C[C@@H]2CC([N@@H+]3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)C[C@H](C1)C2 ZINC001257892119 1039044289 /nfs/dbraw/zinc/04/42/89/1039044289.db2.gz UGBLZVUDVSNNGF-PMSBKCLSSA-N 2 2 369.557 2.581 20 30 FFEDLP C=C1C[C@@H]2CC([N@H+]3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)C[C@H](C1)C2 ZINC001257892119 1039044310 /nfs/dbraw/zinc/04/43/10/1039044310.db2.gz UGBLZVUDVSNNGF-PMSBKCLSSA-N 2 2 369.557 2.581 20 30 FFEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246033683 1039206039 /nfs/dbraw/zinc/20/60/39/1039206039.db2.gz ONFFWIBJABOQOT-PZJWPPBQSA-N 2 2 367.578 2.822 20 30 FFEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246033683 1039206055 /nfs/dbraw/zinc/20/60/55/1039206055.db2.gz ONFFWIBJABOQOT-PZJWPPBQSA-N 2 2 367.578 2.822 20 30 FFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246399867 1039338410 /nfs/dbraw/zinc/33/84/10/1039338410.db2.gz BEUQMFVPKZYYTF-UWJYYQICSA-N 2 2 365.477 2.930 20 30 FFEDLP C=C[C@@](C)(O)C[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001252575925 1039600593 /nfs/dbraw/zinc/60/05/93/1039600593.db2.gz FXXYWOACTXSIOH-FCHUYYIVSA-N 2 2 354.494 2.576 20 30 FFEDLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC001254677044 1040871673 /nfs/dbraw/zinc/87/16/73/1040871673.db2.gz PWEQRFMPWDEWIG-JFIYKMOQSA-N 2 2 362.518 2.742 20 30 FFEDLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC001254677044 1040871687 /nfs/dbraw/zinc/87/16/87/1040871687.db2.gz PWEQRFMPWDEWIG-JFIYKMOQSA-N 2 2 362.518 2.742 20 30 FFEDLP COc1cc[nH+]c(N2CC[NH+](Cc3cn(C)c4ccc(C#N)cc34)CC2)c1 ZINC001237472285 1043186581 /nfs/dbraw/zinc/18/65/81/1043186581.db2.gz FXDWAMVEVXOFMX-UHFFFAOYSA-N 2 2 361.449 2.776 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001346188156 1052781654 /nfs/dbraw/zinc/78/16/54/1052781654.db2.gz ROOBZTGHQHCARO-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001346188156 1052781656 /nfs/dbraw/zinc/78/16/56/1052781656.db2.gz ROOBZTGHQHCARO-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000072859791 507866065 /nfs/dbraw/zinc/86/60/65/507866065.db2.gz DELNBYXCAVNZGD-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000072859791 507866066 /nfs/dbraw/zinc/86/60/66/507866066.db2.gz DELNBYXCAVNZGD-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000072859791 507866068 /nfs/dbraw/zinc/86/60/68/507866068.db2.gz DELNBYXCAVNZGD-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000072859791 507866070 /nfs/dbraw/zinc/86/60/70/507866070.db2.gz DELNBYXCAVNZGD-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000088716124 508381551 /nfs/dbraw/zinc/38/15/51/508381551.db2.gz HKGRNIQZJIPEFN-UHFFFAOYSA-N 3 2 356.558 2.959 20 30 FFEDLP CC(C)(C#N)CCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000135499094 508613697 /nfs/dbraw/zinc/61/36/97/508613697.db2.gz SJUWMAZBEAATEY-UHFFFAOYSA-N 2 2 358.486 2.610 20 30 FFEDLP C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000158063766 508651969 /nfs/dbraw/zinc/65/19/69/508651969.db2.gz AJLSAIYCEOBAHW-INIZCTEOSA-N 2 2 362.905 2.860 20 30 FFEDLP C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000158063766 508651972 /nfs/dbraw/zinc/65/19/72/508651972.db2.gz AJLSAIYCEOBAHW-INIZCTEOSA-N 2 2 362.905 2.860 20 30 FFEDLP C[NH+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000158063766 508651975 /nfs/dbraw/zinc/65/19/75/508651975.db2.gz AJLSAIYCEOBAHW-INIZCTEOSA-N 2 2 362.905 2.860 20 30 FFEDLP C[NH+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000158063766 508651978 /nfs/dbraw/zinc/65/19/78/508651978.db2.gz AJLSAIYCEOBAHW-INIZCTEOSA-N 2 2 362.905 2.860 20 30 FFEDLP CC[NH+]=C(NCc1ncc(CC)s1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160105049 508938890 /nfs/dbraw/zinc/93/88/90/508938890.db2.gz RNIARVQXMYYECZ-ZBFHGGJFSA-N 2 2 360.531 2.951 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCCn2c(C)[nH+]c3ccccc32)cc1OC ZINC000264105987 509333194 /nfs/dbraw/zinc/33/31/94/509333194.db2.gz NNYZYOWAPUIGKI-UHFFFAOYSA-N 2 2 353.426 2.789 20 30 FFEDLP N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000192244884 509425600 /nfs/dbraw/zinc/42/56/00/509425600.db2.gz IJERGXGVUJWQEZ-NRFANRHFSA-N 2 2 371.444 2.635 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267398059 509467820 /nfs/dbraw/zinc/46/78/20/509467820.db2.gz FIMBBBNPZZNLHU-MUZJZNNISA-N 2 2 357.502 2.908 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267398059 509467833 /nfs/dbraw/zinc/46/78/33/509467833.db2.gz FIMBBBNPZZNLHU-MUZJZNNISA-N 2 2 357.502 2.908 20 30 FFEDLP C=CCC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000180040134 509720957 /nfs/dbraw/zinc/72/09/57/509720957.db2.gz QWFLLVJDICESGD-IBGZPJMESA-N 2 2 359.514 2.511 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CN2CCOCC2)c2ccc(CC)cc2)CC1 ZINC000183562829 509863523 /nfs/dbraw/zinc/86/35/23/509863523.db2.gz WSXIWOQGEDBGAM-QFIPXVFZSA-N 2 2 357.542 2.862 20 30 FFEDLP CC[NH+]=C(NCc1nccn1C(F)F)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261957067 510127753 /nfs/dbraw/zinc/12/77/53/510127753.db2.gz JBKVJEIROMFWMY-KBPBESRZSA-N 2 2 365.432 2.523 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181069950 510267073 /nfs/dbraw/zinc/26/70/73/510267073.db2.gz YTKVUNBGNSXSLI-INIZCTEOSA-N 2 2 357.433 2.679 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181069950 510267080 /nfs/dbraw/zinc/26/70/80/510267080.db2.gz YTKVUNBGNSXSLI-INIZCTEOSA-N 2 2 357.433 2.679 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000178087873 510426539 /nfs/dbraw/zinc/42/65/39/510426539.db2.gz HUPNVJYNZKCDMM-UHFFFAOYSA-N 2 2 374.504 2.693 20 30 FFEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000263238822 510626590 /nfs/dbraw/zinc/62/65/90/510626590.db2.gz KKTLLCUERKBSAH-STQMWFEESA-N 2 2 368.909 2.963 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C(C)C ZINC000263818021 510849027 /nfs/dbraw/zinc/84/90/27/510849027.db2.gz IZZJYXGVTRLARB-SFHVURJKSA-N 2 2 359.518 2.997 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)CC1 ZINC000330198173 510934855 /nfs/dbraw/zinc/93/48/55/510934855.db2.gz SWQDPFFJWSMDBZ-MRXNPFEDSA-N 2 2 364.465 2.505 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)CC1 ZINC000330198173 510934862 /nfs/dbraw/zinc/93/48/62/510934862.db2.gz SWQDPFFJWSMDBZ-MRXNPFEDSA-N 2 2 364.465 2.505 20 30 FFEDLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330243151 510945171 /nfs/dbraw/zinc/94/51/71/510945171.db2.gz CMDCTWAEBDNBDW-UYAOXDASSA-N 2 2 368.481 2.693 20 30 FFEDLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330243151 510945177 /nfs/dbraw/zinc/94/51/77/510945177.db2.gz CMDCTWAEBDNBDW-UYAOXDASSA-N 2 2 368.481 2.693 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000280248205 511391826 /nfs/dbraw/zinc/39/18/26/511391826.db2.gz OFJXBKKUEFCBBJ-OAHLLOKOSA-N 2 2 353.470 2.742 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365626758 511567242 /nfs/dbraw/zinc/56/72/42/511567242.db2.gz JLRONAPIDIAMQL-AWEZNQCLSA-N 2 2 357.845 2.763 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365626758 511567249 /nfs/dbraw/zinc/56/72/49/511567249.db2.gz JLRONAPIDIAMQL-AWEZNQCLSA-N 2 2 357.845 2.763 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365734499 511626718 /nfs/dbraw/zinc/62/67/18/511626718.db2.gz JXONTOLOKFXPSA-YLJYHZDGSA-N 2 2 364.449 2.870 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365734499 511626720 /nfs/dbraw/zinc/62/67/20/511626720.db2.gz JXONTOLOKFXPSA-YLJYHZDGSA-N 2 2 364.449 2.870 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328772345 511929686 /nfs/dbraw/zinc/92/96/86/511929686.db2.gz BCZNLZSIKKQRRW-GJYPPUQNSA-N 2 2 350.507 2.853 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328772345 511929691 /nfs/dbraw/zinc/92/96/91/511929691.db2.gz BCZNLZSIKKQRRW-GJYPPUQNSA-N 2 2 350.507 2.853 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000328772345 511929695 /nfs/dbraw/zinc/92/96/95/511929695.db2.gz BCZNLZSIKKQRRW-GJYPPUQNSA-N 2 2 350.507 2.853 20 30 FFEDLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328772345 511929700 /nfs/dbraw/zinc/92/97/00/511929700.db2.gz BCZNLZSIKKQRRW-GJYPPUQNSA-N 2 2 350.507 2.853 20 30 FFEDLP C[N@@H+]1CC[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[C@@H]1c1ccccc1 ZINC000328891616 511946739 /nfs/dbraw/zinc/94/67/39/511946739.db2.gz STZRHYIRPPLZCZ-HKUYNNGSSA-N 2 2 353.470 2.949 20 30 FFEDLP C[N@H+]1CC[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[C@@H]1c1ccccc1 ZINC000328891616 511946750 /nfs/dbraw/zinc/94/67/50/511946750.db2.gz STZRHYIRPPLZCZ-HKUYNNGSSA-N 2 2 353.470 2.949 20 30 FFEDLP C[N@@H+]1CC[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[C@@H]1c1ccccc1 ZINC000328891616 511946753 /nfs/dbraw/zinc/94/67/53/511946753.db2.gz STZRHYIRPPLZCZ-HKUYNNGSSA-N 2 2 353.470 2.949 20 30 FFEDLP C[N@H+]1CC[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[C@@H]1c1ccccc1 ZINC000328891616 511946760 /nfs/dbraw/zinc/94/67/60/511946760.db2.gz STZRHYIRPPLZCZ-HKUYNNGSSA-N 2 2 353.470 2.949 20 30 FFEDLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000329101778 511983608 /nfs/dbraw/zinc/98/36/08/511983608.db2.gz ZVQUPRFHXQWXAY-QGZVFWFLSA-N 2 2 360.502 2.887 20 30 FFEDLP C[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C)[NH+]1CCCCCC1 ZINC000329894504 512105625 /nfs/dbraw/zinc/10/56/25/512105625.db2.gz BIBOUHMIXJFIAS-IKGGRYGDSA-N 2 2 365.497 2.554 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201099 512705860 /nfs/dbraw/zinc/70/58/60/512705860.db2.gz TXZKESSUZRNXGR-INIZCTEOSA-N 2 2 351.454 2.924 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374201099 512705863 /nfs/dbraw/zinc/70/58/63/512705863.db2.gz TXZKESSUZRNXGR-INIZCTEOSA-N 2 2 351.454 2.924 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC3(CCC[N@@H+]3C)CC2)c(OC)c1 ZINC000374620539 512921398 /nfs/dbraw/zinc/92/13/98/512921398.db2.gz GINBNGDPJKNACT-LJQANCHMSA-N 2 2 374.525 2.724 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC3(CCC[N@H+]3C)CC2)c(OC)c1 ZINC000374620539 512921403 /nfs/dbraw/zinc/92/14/03/512921403.db2.gz GINBNGDPJKNACT-LJQANCHMSA-N 2 2 374.525 2.724 20 30 FFEDLP CCCC[C@H](ON=C(C)C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376893317 513036012 /nfs/dbraw/zinc/03/60/12/513036012.db2.gz OBBYJOBSKHHRJK-OALUTQOASA-N 2 2 366.550 2.585 20 30 FFEDLP CCCC[C@H](ON=C(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376893317 513036015 /nfs/dbraw/zinc/03/60/15/513036015.db2.gz OBBYJOBSKHHRJK-OALUTQOASA-N 2 2 366.550 2.585 20 30 FFEDLP N#Cc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1F ZINC000421322623 513221436 /nfs/dbraw/zinc/22/14/36/513221436.db2.gz GTNHMXBHQTYBKM-UHFFFAOYSA-N 2 2 369.440 2.698 20 30 FFEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000449523584 514240179 /nfs/dbraw/zinc/24/01/79/514240179.db2.gz LWIWZRLEBFNMID-UHFFFAOYSA-N 2 2 365.481 2.609 20 30 FFEDLP C=CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489716996 514949416 /nfs/dbraw/zinc/94/94/16/514949416.db2.gz OCRUUZUEUYESQK-RTBURBONSA-N 2 2 371.591 2.551 20 30 FFEDLP C=CCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489716996 514949423 /nfs/dbraw/zinc/94/94/23/514949423.db2.gz OCRUUZUEUYESQK-RTBURBONSA-N 2 2 371.591 2.551 20 30 FFEDLP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000498599350 514990314 /nfs/dbraw/zinc/99/03/14/514990314.db2.gz DRFUYMPKJKYFCB-UHFFFAOYSA-N 2 2 362.477 2.578 20 30 FFEDLP Cn1nc2c(c1C[NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CCCC2 ZINC000462805461 515253125 /nfs/dbraw/zinc/25/31/25/515253125.db2.gz HHDLRBXIEQDCJX-UHFFFAOYSA-N 2 2 363.509 2.925 20 30 FFEDLP C=CCC1(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000459054205 515289230 /nfs/dbraw/zinc/28/92/30/515289230.db2.gz SGPLIYAWZZYPSF-UHFFFAOYSA-N 2 2 350.551 2.790 20 30 FFEDLP C=CCC1(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCC1 ZINC000459054205 515289241 /nfs/dbraw/zinc/28/92/41/515289241.db2.gz SGPLIYAWZZYPSF-UHFFFAOYSA-N 2 2 350.551 2.790 20 30 FFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000483527305 516121994 /nfs/dbraw/zinc/12/19/94/516121994.db2.gz KBVBZNLTBIWPCX-UHFFFAOYSA-N 2 2 358.449 2.770 20 30 FFEDLP C=CCc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc(OC)c1O ZINC000517588838 516376475 /nfs/dbraw/zinc/37/64/75/516376475.db2.gz TUJDOTWIIAAUPE-LJQANCHMSA-N 2 2 360.498 2.816 20 30 FFEDLP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2[nH+]ccn21 ZINC000563083122 517645205 /nfs/dbraw/zinc/64/52/05/517645205.db2.gz RGLSFBHVSDYMRN-QAPCUYQASA-N 2 2 366.469 2.534 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543060288 517887751 /nfs/dbraw/zinc/88/77/51/517887751.db2.gz ALSVKZDXFGTTKB-FXAWDEMLSA-N 2 2 359.518 2.818 20 30 FFEDLP C=CCOc1ccc(C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C(C)(C)C)cc1 ZINC000557202921 517917162 /nfs/dbraw/zinc/91/71/62/517917162.db2.gz GTBLGGNHEADVEC-UHFFFAOYSA-N 2 2 359.514 2.626 20 30 FFEDLP C=CCOc1ccc(C[N@H+](CC(=O)N2CC[NH+](C)CC2)C(C)(C)C)cc1 ZINC000557202921 517917170 /nfs/dbraw/zinc/91/71/70/517917170.db2.gz GTBLGGNHEADVEC-UHFFFAOYSA-N 2 2 359.514 2.626 20 30 FFEDLP N#Cc1cnn2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cnc12 ZINC000569605241 518205161 /nfs/dbraw/zinc/20/51/61/518205161.db2.gz GYWWFNWCOZHTTC-TZIWHRDSSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cnc12 ZINC000569605241 518205162 /nfs/dbraw/zinc/20/51/62/518205162.db2.gz GYWWFNWCOZHTTC-TZIWHRDSSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cnc12 ZINC000569605241 518205164 /nfs/dbraw/zinc/20/51/64/518205164.db2.gz GYWWFNWCOZHTTC-TZIWHRDSSA-N 2 2 372.476 2.555 20 30 FFEDLP N#Cc1cnn2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cnc12 ZINC000569605241 518205167 /nfs/dbraw/zinc/20/51/67/518205167.db2.gz GYWWFNWCOZHTTC-TZIWHRDSSA-N 2 2 372.476 2.555 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000573365848 518632720 /nfs/dbraw/zinc/63/27/20/518632720.db2.gz AKPBCCCTOIUEHX-QGZVFWFLSA-N 2 2 361.453 2.582 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000573365848 518632723 /nfs/dbraw/zinc/63/27/23/518632723.db2.gz AKPBCCCTOIUEHX-QGZVFWFLSA-N 2 2 361.453 2.582 20 30 FFEDLP CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579593666 518756174 /nfs/dbraw/zinc/75/61/74/518756174.db2.gz BCMSRJXRESAMGC-IBGZPJMESA-N 2 2 374.492 2.945 20 30 FFEDLP CC[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579593666 518756181 /nfs/dbraw/zinc/75/61/81/518756181.db2.gz BCMSRJXRESAMGC-IBGZPJMESA-N 2 2 374.492 2.945 20 30 FFEDLP CC[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579593666 518756187 /nfs/dbraw/zinc/75/61/87/518756187.db2.gz BCMSRJXRESAMGC-IBGZPJMESA-N 2 2 374.492 2.945 20 30 FFEDLP CC[NH+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579593666 518756193 /nfs/dbraw/zinc/75/61/93/518756193.db2.gz BCMSRJXRESAMGC-IBGZPJMESA-N 2 2 374.492 2.945 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582912194 518982750 /nfs/dbraw/zinc/98/27/50/518982750.db2.gz WXFSOMAGXYTUGN-BHDDXSALSA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582912194 518982755 /nfs/dbraw/zinc/98/27/55/518982755.db2.gz WXFSOMAGXYTUGN-BHDDXSALSA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582912194 518982762 /nfs/dbraw/zinc/98/27/62/518982762.db2.gz WXFSOMAGXYTUGN-BHDDXSALSA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582912194 518982765 /nfs/dbraw/zinc/98/27/65/518982765.db2.gz WXFSOMAGXYTUGN-BHDDXSALSA-N 2 2 374.488 2.539 20 30 FFEDLP Cn1c[nH+]cc1CCC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000571653494 519204197 /nfs/dbraw/zinc/20/41/97/519204197.db2.gz IUONZIYKXDOKSH-IBGZPJMESA-N 2 2 357.889 2.889 20 30 FFEDLP Cn1c[nH+]cc1CCC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000571653504 519204466 /nfs/dbraw/zinc/20/44/66/519204466.db2.gz IUONZIYKXDOKSH-LJQANCHMSA-N 2 2 357.889 2.889 20 30 FFEDLP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000590599374 519282755 /nfs/dbraw/zinc/28/27/55/519282755.db2.gz FWIYDBRKTGIGMF-UHFFFAOYSA-N 2 2 355.467 2.609 20 30 FFEDLP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3[nH+]c[nH]c3C1)CCCC2 ZINC000590599374 519282762 /nfs/dbraw/zinc/28/27/62/519282762.db2.gz FWIYDBRKTGIGMF-UHFFFAOYSA-N 2 2 355.467 2.609 20 30 FFEDLP N#Cc1c(NC(=O)CC[N@@H+]2CCn3c[nH+]cc3C2)sc2c1CCCC2 ZINC000590600404 519283095 /nfs/dbraw/zinc/28/30/95/519283095.db2.gz VZELHOFTEIKBCL-UHFFFAOYSA-N 2 2 355.467 2.539 20 30 FFEDLP N#Cc1c(NC(=O)CC[N@H+]2CCn3c[nH+]cc3C2)sc2c1CCCC2 ZINC000590600404 519283100 /nfs/dbraw/zinc/28/31/00/519283100.db2.gz VZELHOFTEIKBCL-UHFFFAOYSA-N 2 2 355.467 2.539 20 30 FFEDLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441403 519966935 /nfs/dbraw/zinc/96/69/35/519966935.db2.gz RNSHJVGYXMGWRQ-CRAIPNDOSA-N 2 2 362.905 2.956 20 30 FFEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000594469643 519980587 /nfs/dbraw/zinc/98/05/87/519980587.db2.gz JZOVZMIYOQQDLP-MRXNPFEDSA-N 2 2 353.470 2.755 20 30 FFEDLP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000602957164 519992324 /nfs/dbraw/zinc/99/23/24/519992324.db2.gz RSDWSEZXTIEFOX-IBGZPJMESA-N 2 2 357.498 2.638 20 30 FFEDLP CCc1ccc([C@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)[NH+](C)C)cc1 ZINC000600713525 520414405 /nfs/dbraw/zinc/41/44/05/520414405.db2.gz BNKLHTSQKUAOHF-PMACEKPBSA-N 2 2 359.514 2.513 20 30 FFEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595550893 520547192 /nfs/dbraw/zinc/54/71/92/520547192.db2.gz DYQCICCBKSUBJC-INIZCTEOSA-N 2 2 367.497 2.826 20 30 FFEDLP CC(C)C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000602032321 521091120 /nfs/dbraw/zinc/09/11/20/521091120.db2.gz HJQGSSDPWVUQMY-FQEVSTJZSA-N 2 2 365.481 2.686 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(-n4cncn4)cc3)CC2)c1 ZINC000593693419 521160581 /nfs/dbraw/zinc/16/05/81/521160581.db2.gz YIFPCYHIFHEDBO-UHFFFAOYSA-N 2 2 372.476 2.893 20 30 FFEDLP Cc1sc(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000602845335 521567296 /nfs/dbraw/zinc/56/72/96/521567296.db2.gz HNDPFNRCABLUHL-UHFFFAOYSA-N 2 2 369.494 2.782 20 30 FFEDLP Cc1sc(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C#N)c1C ZINC000602845335 521567303 /nfs/dbraw/zinc/56/73/03/521567303.db2.gz HNDPFNRCABLUHL-UHFFFAOYSA-N 2 2 369.494 2.782 20 30 FFEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCS[C@@H](C(C)C)C1 ZINC000153770835 728788099 /nfs/dbraw/zinc/78/80/99/728788099.db2.gz ZEXRHECEFPAKHF-QGZVFWFLSA-N 2 2 363.575 2.801 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000858126663 730417246 /nfs/dbraw/zinc/41/72/46/730417246.db2.gz FOETWMBUYDFRIT-HZPDHXFCSA-N 2 2 366.889 2.866 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OC ZINC000858126663 730417247 /nfs/dbraw/zinc/41/72/47/730417247.db2.gz FOETWMBUYDFRIT-HZPDHXFCSA-N 2 2 366.889 2.866 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000876725254 732272820 /nfs/dbraw/zinc/27/28/20/732272820.db2.gz HKGWMJKYEMIOAT-DZKIICNBSA-N 2 2 351.878 2.704 20 30 FFEDLP C[C@H](C#N)OCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000796192000 740114393 /nfs/dbraw/zinc/11/43/93/740114393.db2.gz SVJCUMIWMCWNNI-CYBMUJFWSA-N 2 2 367.247 2.669 20 30 FFEDLP C[C@H](C#N)OCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000796192000 740114396 /nfs/dbraw/zinc/11/43/96/740114396.db2.gz SVJCUMIWMCWNNI-CYBMUJFWSA-N 2 2 367.247 2.669 20 30 FFEDLP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc(F)ccc1F ZINC000262246535 970974687 /nfs/dbraw/zinc/97/46/87/970974687.db2.gz CIUPERYRNNBJMO-INIZCTEOSA-N 2 2 360.408 2.592 20 30 FFEDLP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc(F)ccc1F ZINC000262246535 970974698 /nfs/dbraw/zinc/97/46/98/970974698.db2.gz CIUPERYRNNBJMO-INIZCTEOSA-N 2 2 360.408 2.592 20 30 FFEDLP N#CC1(NC(=O)c2ccn3c[nH+]cc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001151908998 1032060158 /nfs/dbraw/zinc/06/01/58/1032060158.db2.gz JFOMXBSZAMAOSZ-UHFFFAOYSA-N 2 2 359.433 2.622 20 30 FFEDLP C=CCC(F)(F)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270000887 964526551 /nfs/dbraw/zinc/52/65/51/964526551.db2.gz NXFKKSZGRLDXLE-SJORKVTESA-N 2 2 352.429 2.646 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811896 968141084 /nfs/dbraw/zinc/14/10/84/968141084.db2.gz KQEMTEYXHGNUIC-OWCLPIDISA-N 2 2 350.894 2.682 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811896 968141093 /nfs/dbraw/zinc/14/10/93/968141093.db2.gz KQEMTEYXHGNUIC-OWCLPIDISA-N 2 2 350.894 2.682 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001087847748 970584028 /nfs/dbraw/zinc/58/40/28/970584028.db2.gz OYFGODFKCLFHCT-RBUKOAKNSA-N 2 2 370.884 2.557 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001087847748 970584034 /nfs/dbraw/zinc/58/40/34/970584034.db2.gz OYFGODFKCLFHCT-RBUKOAKNSA-N 2 2 370.884 2.557 20 30 FFEDLP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001087431523 976041165 /nfs/dbraw/zinc/04/11/65/976041165.db2.gz UBAOKLZHPOAJNB-UYAOXDASSA-N 2 2 368.481 2.510 20 30 FFEDLP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001087431523 976041177 /nfs/dbraw/zinc/04/11/77/976041177.db2.gz UBAOKLZHPOAJNB-UYAOXDASSA-N 2 2 368.481 2.510 20 30 FFEDLP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268107486 976514457 /nfs/dbraw/zinc/51/44/57/976514457.db2.gz ZFIGIMAQWSNCMT-GUDVDZBRSA-N 2 2 365.481 2.706 20 30 FFEDLP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268107486 976514471 /nfs/dbraw/zinc/51/44/71/976514471.db2.gz ZFIGIMAQWSNCMT-GUDVDZBRSA-N 2 2 365.481 2.706 20 30 FFEDLP C=C(C)C[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001087453390 977760869 /nfs/dbraw/zinc/76/08/69/977760869.db2.gz QIWLFWKWZGZQPU-AQNXPRMDSA-N 2 2 359.489 2.770 20 30 FFEDLP C=C(C)C[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001087453390 977760871 /nfs/dbraw/zinc/76/08/71/977760871.db2.gz QIWLFWKWZGZQPU-AQNXPRMDSA-N 2 2 359.489 2.770 20 30 FFEDLP C[NH+]=C(NC[C@@H]1CCC[N@H+](CC(C)C)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159968132 979476739 /nfs/dbraw/zinc/47/67/39/979476739.db2.gz OBEAMKGSYWMKLW-UFYCRDLUSA-N 3 2 374.577 2.709 20 30 FFEDLP C[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159968132 979476746 /nfs/dbraw/zinc/47/67/46/979476746.db2.gz OBEAMKGSYWMKLW-UFYCRDLUSA-N 3 2 374.577 2.709 20 30 FFEDLP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001007356721 1015190689 /nfs/dbraw/zinc/19/06/89/1015190689.db2.gz MIUQEUFZRSIMQI-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001007356721 1015190697 /nfs/dbraw/zinc/19/06/97/1015190697.db2.gz MIUQEUFZRSIMQI-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106291549 987868947 /nfs/dbraw/zinc/86/89/47/987868947.db2.gz CSCPYXFEOXSEDA-OIISXLGYSA-N 2 2 352.910 2.907 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC001034665560 990158010 /nfs/dbraw/zinc/15/80/10/990158010.db2.gz OOXKIPVBRHKQIT-NCXUSEDFSA-N 2 2 363.465 2.602 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC001034665560 990158017 /nfs/dbraw/zinc/15/80/17/990158017.db2.gz OOXKIPVBRHKQIT-NCXUSEDFSA-N 2 2 363.465 2.602 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479360 1015999700 /nfs/dbraw/zinc/99/97/00/1015999700.db2.gz JTZZUKMXGRKIDJ-UAFMIMERSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479360 1015999703 /nfs/dbraw/zinc/99/97/03/1015999703.db2.gz JTZZUKMXGRKIDJ-UAFMIMERSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085250505 999257488 /nfs/dbraw/zinc/25/74/88/999257488.db2.gz WSZJBUSCJODUKJ-RRFJBIMHSA-N 2 2 350.894 2.593 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085250505 999257491 /nfs/dbraw/zinc/25/74/91/999257491.db2.gz WSZJBUSCJODUKJ-RRFJBIMHSA-N 2 2 350.894 2.593 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000768675032 1000323410 /nfs/dbraw/zinc/32/34/10/1000323410.db2.gz VYLZRAMYCKHDMB-RYQLBKOJSA-N 2 2 367.534 2.545 20 30 FFEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001096887160 1016681098 /nfs/dbraw/zinc/68/10/98/1016681098.db2.gz BELQZPHPZURFOT-YSTOQKLRSA-N 2 2 371.912 2.507 20 30 FFEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001096887160 1016681108 /nfs/dbraw/zinc/68/11/08/1016681108.db2.gz BELQZPHPZURFOT-YSTOQKLRSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001096887160 1016681112 /nfs/dbraw/zinc/68/11/12/1016681112.db2.gz BELQZPHPZURFOT-YSTOQKLRSA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001096887160 1016681121 /nfs/dbraw/zinc/68/11/21/1016681121.db2.gz BELQZPHPZURFOT-YSTOQKLRSA-N 2 2 371.912 2.507 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001097066142 1016971438 /nfs/dbraw/zinc/97/14/38/1016971438.db2.gz OJSDHPQQGRGRST-OAOYMFHYSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C#N)s1 ZINC001097066142 1016971450 /nfs/dbraw/zinc/97/14/50/1016971450.db2.gz OJSDHPQQGRGRST-OAOYMFHYSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001097066142 1016971466 /nfs/dbraw/zinc/97/14/66/1016971466.db2.gz OJSDHPQQGRGRST-OAOYMFHYSA-N 2 2 372.538 2.714 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001097066142 1016971481 /nfs/dbraw/zinc/97/14/81/1016971481.db2.gz OJSDHPQQGRGRST-OAOYMFHYSA-N 2 2 372.538 2.714 20 30 FFEDLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 ZINC000886358215 1008649563 /nfs/dbraw/zinc/64/95/63/1008649563.db2.gz RGKGMCZJALARDS-PZJWPPBQSA-N 2 2 357.498 2.554 20 30 FFEDLP Cc1[nH]c(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)[nH+]c1C ZINC000886664236 1008802634 /nfs/dbraw/zinc/80/26/34/1008802634.db2.gz GUPIUUPVLCLQED-LJQANCHMSA-N 2 2 363.465 2.883 20 30 FFEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccc2c(c1)CCC2 ZINC000104164641 1009930361 /nfs/dbraw/zinc/93/03/61/1009930361.db2.gz IZCXRIHKEWTDLE-UHFFFAOYSA-N 2 2 364.493 2.934 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866338021 1010979285 /nfs/dbraw/zinc/97/92/85/1010979285.db2.gz WIVOBIFAMIYKJG-DNVCBOLYSA-N 2 2 351.450 2.681 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1O ZINC000866338021 1010979290 /nfs/dbraw/zinc/97/92/90/1010979290.db2.gz WIVOBIFAMIYKJG-DNVCBOLYSA-N 2 2 351.450 2.681 20 30 FFEDLP CC1CC[NH+](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172968988 1012137339 /nfs/dbraw/zinc/13/73/39/1012137339.db2.gz UTAHSBDDGJKKLB-SJORKVTESA-N 2 2 350.507 2.600 20 30 FFEDLP N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001275300267 1012240152 /nfs/dbraw/zinc/24/01/52/1012240152.db2.gz QVBBMXCRJMAFBQ-QGZVFWFLSA-N 2 2 351.454 2.585 20 30 FFEDLP C=CCCCCC[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275329092 1012308598 /nfs/dbraw/zinc/30/85/98/1012308598.db2.gz MAAHPKCAJRAGDT-FQEVSTJZSA-N 2 2 358.486 2.508 20 30 FFEDLP C=CCCCCC[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275329092 1012308615 /nfs/dbraw/zinc/30/86/15/1012308615.db2.gz MAAHPKCAJRAGDT-FQEVSTJZSA-N 2 2 358.486 2.508 20 30 FFEDLP COc1cccc(NC(=[NH2+])NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000303906087 1012517182 /nfs/dbraw/zinc/51/71/82/1012517182.db2.gz VWXIEZQRAUORHG-KRWDZBQOSA-N 2 2 367.497 2.633 20 30 FFEDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173426657 1012579072 /nfs/dbraw/zinc/57/90/72/1012579072.db2.gz DABOAMJLSAOVHJ-FQEVSTJZSA-N 2 2 368.525 2.873 20 30 FFEDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173426657 1012579088 /nfs/dbraw/zinc/57/90/88/1012579088.db2.gz DABOAMJLSAOVHJ-FQEVSTJZSA-N 2 2 368.525 2.873 20 30 FFEDLP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001016629594 1022057957 /nfs/dbraw/zinc/05/79/57/1022057957.db2.gz QJPBMGMAPZHKBZ-QRVBRYPASA-N 2 2 368.525 2.701 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001101282870 1024318268 /nfs/dbraw/zinc/31/82/68/1024318268.db2.gz IWGCZVFOEKHSGE-JQVVWYNYSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001101282870 1024318286 /nfs/dbraw/zinc/31/82/86/1024318286.db2.gz IWGCZVFOEKHSGE-JQVVWYNYSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001101285264 1024329955 /nfs/dbraw/zinc/32/99/55/1024329955.db2.gz VIZXRCNJIVSITO-KNKQGSTJSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001101285264 1024329974 /nfs/dbraw/zinc/32/99/74/1024329974.db2.gz VIZXRCNJIVSITO-KNKQGSTJSA-N 2 2 370.541 2.972 20 30 FFEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1C#N ZINC000246044178 1025713931 /nfs/dbraw/zinc/71/39/31/1025713931.db2.gz BPUWZOWPWOYPMH-OXQOHEQNSA-N 2 2 350.466 2.962 20 30 FFEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1C#N ZINC000246044178 1025713941 /nfs/dbraw/zinc/71/39/41/1025713941.db2.gz BPUWZOWPWOYPMH-OXQOHEQNSA-N 2 2 350.466 2.962 20 30 FFEDLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)n1cc[nH+]c1 ZINC001102413559 1025929386 /nfs/dbraw/zinc/92/93/86/1025929386.db2.gz LPQBLAGEWPJAKU-FUHIMQAGSA-N 2 2 365.481 2.590 20 30 FFEDLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)n1cc[nH+]c1 ZINC001102413559 1025929392 /nfs/dbraw/zinc/92/93/92/1025929392.db2.gz LPQBLAGEWPJAKU-FUHIMQAGSA-N 2 2 365.481 2.590 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001102494333 1026123221 /nfs/dbraw/zinc/12/32/21/1026123221.db2.gz PLCOVJFGLSFDNG-KZNAEPCWSA-N 2 2 367.497 2.920 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001102494333 1026123223 /nfs/dbraw/zinc/12/32/23/1026123223.db2.gz PLCOVJFGLSFDNG-KZNAEPCWSA-N 2 2 367.497 2.920 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103605890 1027771446 /nfs/dbraw/zinc/77/14/46/1027771446.db2.gz ZXGICYQACADMFB-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103605890 1027771459 /nfs/dbraw/zinc/77/14/59/1027771459.db2.gz ZXGICYQACADMFB-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160742170 1027849608 /nfs/dbraw/zinc/84/96/08/1027849608.db2.gz MRDHSOAAVXDIAF-GOSISDBHSA-N 2 2 356.857 2.855 20 30 FFEDLP CSc1nc(-c2ccccc2)nc(NCC[NH+]2CCC([NH3+])CC2)c1C#N ZINC001161867952 1028340485 /nfs/dbraw/zinc/34/04/85/1028340485.db2.gz YGCWJIZNWZNKSG-UHFFFAOYSA-N 2 2 368.510 2.572 20 30 FFEDLP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001164566386 1029321718 /nfs/dbraw/zinc/32/17/18/1029321718.db2.gz OAIMZYFMOQFHGA-RTBURBONSA-N 2 2 370.541 2.996 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C(F)(F)F ZINC001112164818 1030130067 /nfs/dbraw/zinc/13/00/67/1030130067.db2.gz SIBQENXUFQAXRQ-GZBFAFLISA-N 2 2 370.419 2.775 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205691793 1031940102 /nfs/dbraw/zinc/94/01/02/1031940102.db2.gz DKQDBKDYTTWSBP-AZUAARDMSA-N 2 2 370.472 2.963 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067247 1033503811 /nfs/dbraw/zinc/50/38/11/1033503811.db2.gz NCPHFHGKECZFQN-RBUKOAKNSA-N 2 2 362.518 2.545 20 30 FFEDLP CCCCCCC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067247 1033503819 /nfs/dbraw/zinc/50/38/19/1033503819.db2.gz NCPHFHGKECZFQN-RBUKOAKNSA-N 2 2 362.518 2.545 20 30 FFEDLP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)n1)CC2 ZINC001232924131 1036160658 /nfs/dbraw/zinc/16/06/58/1036160658.db2.gz QVXPAMKROQDNKH-LJQANCHMSA-N 2 2 366.465 2.802 20 30 FFEDLP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1cccnc1 ZINC001230780852 1037355391 /nfs/dbraw/zinc/35/53/91/1037355391.db2.gz AKNOLYWTFCPNQW-RTBURBONSA-N 2 2 367.497 2.883 20 30 FFEDLP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1cccnc1 ZINC001230780852 1037355411 /nfs/dbraw/zinc/35/54/11/1037355411.db2.gz AKNOLYWTFCPNQW-RTBURBONSA-N 2 2 367.497 2.883 20 30 FFEDLP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1cccnc1 ZINC001230780852 1037355427 /nfs/dbraw/zinc/35/54/27/1037355427.db2.gz AKNOLYWTFCPNQW-RTBURBONSA-N 2 2 367.497 2.883 20 30 FFEDLP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1cccnc1 ZINC001230780852 1037355442 /nfs/dbraw/zinc/35/54/42/1037355442.db2.gz AKNOLYWTFCPNQW-RTBURBONSA-N 2 2 367.497 2.883 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\c2ccccc2)C[C@H]1C ZINC001207583296 1037576773 /nfs/dbraw/zinc/57/67/73/1037576773.db2.gz OYGNRJQNVVPTEZ-SCJFJAFQSA-N 2 2 365.521 2.624 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C\c2ccccc2)C[C@H]1C ZINC001207583296 1037576788 /nfs/dbraw/zinc/57/67/88/1037576788.db2.gz OYGNRJQNVVPTEZ-SCJFJAFQSA-N 2 2 365.521 2.624 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\c2ccccc2)C[C@H]1C ZINC001207583296 1037576799 /nfs/dbraw/zinc/57/67/99/1037576799.db2.gz OYGNRJQNVVPTEZ-SCJFJAFQSA-N 2 2 365.521 2.624 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\c2ccccc2)C[C@H]1C ZINC001207583296 1037576809 /nfs/dbraw/zinc/57/68/09/1037576809.db2.gz OYGNRJQNVVPTEZ-SCJFJAFQSA-N 2 2 365.521 2.624 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+](C[C@H]4CCCC[NH2+]4)C3)C2)c1 ZINC001235635245 1037654752 /nfs/dbraw/zinc/65/47/52/1037654752.db2.gz HMEONLWEVQSJAY-IRLDBZIGSA-N 2 2 368.525 2.619 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+](C[C@H]4CCCC[NH2+]4)C3)C2)c1 ZINC001235635245 1037654757 /nfs/dbraw/zinc/65/47/57/1037654757.db2.gz HMEONLWEVQSJAY-IRLDBZIGSA-N 2 2 368.525 2.619 20 30 FFEDLP CCC1(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cc(C#N)n(C)c4)C3)C2)COC1 ZINC001278472176 1039533867 /nfs/dbraw/zinc/53/38/67/1039533867.db2.gz DLTDSATUFHYZQL-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP CCC1(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cc(C#N)n(C)c4)C3)C2)COC1 ZINC001278472176 1039533882 /nfs/dbraw/zinc/53/38/82/1039533882.db2.gz DLTDSATUFHYZQL-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP CCC1(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cc(C#N)n(C)c4)C3)C2)COC1 ZINC001278472176 1039533893 /nfs/dbraw/zinc/53/38/93/1039533893.db2.gz DLTDSATUFHYZQL-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP CCC1(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cc(C#N)n(C)c4)C3)C2)COC1 ZINC001278472176 1039533907 /nfs/dbraw/zinc/53/39/07/1039533907.db2.gz DLTDSATUFHYZQL-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP CCCCCCCCCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252987735 1039896224 /nfs/dbraw/zinc/89/62/24/1039896224.db2.gz WOANWSYQRILVTH-IBGZPJMESA-N 2 2 366.550 2.940 20 30 FFEDLP CCCCCCCCCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252987735 1039896239 /nfs/dbraw/zinc/89/62/39/1039896239.db2.gz WOANWSYQRILVTH-IBGZPJMESA-N 2 2 366.550 2.940 20 30 FFEDLP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001278747753 1040448068 /nfs/dbraw/zinc/44/80/68/1040448068.db2.gz SWCSLEQVUDDMAL-RRFJBIMHSA-N 2 2 352.429 2.553 20 30 FFEDLP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001278747753 1040448074 /nfs/dbraw/zinc/44/80/74/1040448074.db2.gz SWCSLEQVUDDMAL-RRFJBIMHSA-N 2 2 352.429 2.553 20 30 FFEDLP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001278747753 1040448085 /nfs/dbraw/zinc/44/80/85/1040448085.db2.gz SWCSLEQVUDDMAL-RRFJBIMHSA-N 2 2 352.429 2.553 20 30 FFEDLP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001278747753 1040448090 /nfs/dbraw/zinc/44/80/90/1040448090.db2.gz SWCSLEQVUDDMAL-RRFJBIMHSA-N 2 2 352.429 2.553 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C[C@H]4CCCO4)C3)C2)cc1C#N ZINC001279467993 1043150442 /nfs/dbraw/zinc/15/04/42/1043150442.db2.gz QZABAXZKEAFMRQ-NHCUHLMSSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](C[C@H]4CCCO4)C3)C2)cc1C#N ZINC001279467993 1043150448 /nfs/dbraw/zinc/15/04/48/1043150448.db2.gz QZABAXZKEAFMRQ-NHCUHLMSSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](C[C@H]4CCCO4)C3)C2)cc1C#N ZINC001279467993 1043150452 /nfs/dbraw/zinc/15/04/52/1043150452.db2.gz QZABAXZKEAFMRQ-NHCUHLMSSA-N 2 2 356.514 2.754 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C[C@H]4CCCO4)C3)C2)cc1C#N ZINC001279467993 1043150455 /nfs/dbraw/zinc/15/04/55/1043150455.db2.gz QZABAXZKEAFMRQ-NHCUHLMSSA-N 2 2 356.514 2.754 20 30 FFEDLP C[NH+](C)CCCOc1ccc(CN2CCC23C[NH+](CCCC#N)C3)cc1 ZINC001280181573 1044363163 /nfs/dbraw/zinc/36/31/63/1044363163.db2.gz SDCWNLYOBPNQPK-UHFFFAOYSA-N 2 2 356.514 2.581 20 30 FFEDLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001316796042 1045005970 /nfs/dbraw/zinc/00/59/70/1045005970.db2.gz VVIVVFJNHKUFQJ-KDOFPFPSSA-N 2 2 371.510 2.684 20 30 FFEDLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001316796042 1045005978 /nfs/dbraw/zinc/00/59/78/1045005978.db2.gz VVIVVFJNHKUFQJ-KDOFPFPSSA-N 2 2 371.510 2.684 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001340390448 1050783928 /nfs/dbraw/zinc/78/39/28/1050783928.db2.gz PUDSERRJUFVMQF-OALUTQOASA-N 2 2 372.561 2.933 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001340390448 1050783942 /nfs/dbraw/zinc/78/39/42/1050783942.db2.gz PUDSERRJUFVMQF-OALUTQOASA-N 2 2 372.561 2.933 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001351656700 1054942165 /nfs/dbraw/zinc/94/21/65/1054942165.db2.gz KNKGUMJRCDAVOQ-ZWKOTPCHSA-N 2 2 360.550 2.617 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001351656700 1054942175 /nfs/dbraw/zinc/94/21/75/1054942175.db2.gz KNKGUMJRCDAVOQ-ZWKOTPCHSA-N 2 2 360.550 2.617 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001339567546 1056591677 /nfs/dbraw/zinc/59/16/77/1056591677.db2.gz MZCOGLNMUDEPTG-GOSISDBHSA-N 2 2 360.550 2.618 20 30 FFEDLP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001479724060 1062935313 /nfs/dbraw/zinc/93/53/13/1062935313.db2.gz CRUYEEJFVHUOQI-BEFAXECRSA-N 2 2 360.477 2.508 20 30 FFEDLP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001479724060 1062935334 /nfs/dbraw/zinc/93/53/34/1062935334.db2.gz CRUYEEJFVHUOQI-BEFAXECRSA-N 2 2 360.477 2.508 20 30 FFEDLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001479724060 1062935358 /nfs/dbraw/zinc/93/53/58/1062935358.db2.gz CRUYEEJFVHUOQI-BEFAXECRSA-N 2 2 360.477 2.508 20 30 FFEDLP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC001479724060 1062935380 /nfs/dbraw/zinc/93/53/80/1062935380.db2.gz CRUYEEJFVHUOQI-BEFAXECRSA-N 2 2 360.477 2.508 20 30 FFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC001560488982 1076276045 /nfs/dbraw/zinc/27/60/45/1076276045.db2.gz VNWJDMYLGKJWDL-UHFFFAOYSA-N 2 2 369.303 2.901 20 30 FFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC001560488982 1076276049 /nfs/dbraw/zinc/27/60/49/1076276049.db2.gz VNWJDMYLGKJWDL-UHFFFAOYSA-N 2 2 369.303 2.901 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001566020124 1076854907 /nfs/dbraw/zinc/85/49/07/1076854907.db2.gz DKHLFCVYKDFNGA-RBUKOAKNSA-N 2 2 360.477 2.508 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001566020124 1076854910 /nfs/dbraw/zinc/85/49/10/1076854910.db2.gz DKHLFCVYKDFNGA-RBUKOAKNSA-N 2 2 360.477 2.508 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000278518389 256321781 /nfs/dbraw/zinc/32/17/81/256321781.db2.gz CGOHJAMJFDCJKR-SFHVURJKSA-N 2 2 367.449 2.545 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000289199515 257265417 /nfs/dbraw/zinc/26/54/17/257265417.db2.gz BHMDFCWFRUYYCX-IBGZPJMESA-N 2 2 350.466 2.543 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000289199515 257265419 /nfs/dbraw/zinc/26/54/19/257265419.db2.gz BHMDFCWFRUYYCX-IBGZPJMESA-N 2 2 350.466 2.543 20 30 FFEDLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000369075661 512216197 /nfs/dbraw/zinc/21/61/97/512216197.db2.gz IDZOSZWRBPXWRE-UHFFFAOYSA-N 2 2 372.476 2.984 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000067203062 506792367 /nfs/dbraw/zinc/79/23/67/506792367.db2.gz QNTRHMBCYMWCKH-HDICACEKSA-N 2 2 369.509 2.580 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000067203062 506792378 /nfs/dbraw/zinc/79/23/78/506792378.db2.gz QNTRHMBCYMWCKH-HDICACEKSA-N 2 2 369.509 2.580 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796172 507987943 /nfs/dbraw/zinc/98/79/43/507987943.db2.gz DVQPXSKHEOZUNX-MRXNPFEDSA-N 2 2 369.444 2.994 20 30 FFEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000093665497 508151691 /nfs/dbraw/zinc/15/16/91/508151691.db2.gz RTWASUOHTOAEEW-IBGZPJMESA-N 2 2 360.498 2.804 20 30 FFEDLP C=C(C)COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000093665497 508151695 /nfs/dbraw/zinc/15/16/95/508151695.db2.gz RTWASUOHTOAEEW-IBGZPJMESA-N 2 2 360.498 2.804 20 30 FFEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000081572911 508191599 /nfs/dbraw/zinc/19/15/99/508191599.db2.gz SBMVDVWUNWKUSD-RBUKOAKNSA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000081572911 508191601 /nfs/dbraw/zinc/19/16/01/508191601.db2.gz SBMVDVWUNWKUSD-RBUKOAKNSA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000081572911 508191603 /nfs/dbraw/zinc/19/16/03/508191603.db2.gz SBMVDVWUNWKUSD-RBUKOAKNSA-N 2 2 356.514 2.985 20 30 FFEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000081572911 508191605 /nfs/dbraw/zinc/19/16/05/508191605.db2.gz SBMVDVWUNWKUSD-RBUKOAKNSA-N 2 2 356.514 2.985 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C(N)=O)cc1 ZINC000115595873 508415654 /nfs/dbraw/zinc/41/56/54/508415654.db2.gz VBVNIBALTXDMDE-OAQYLSRUSA-N 2 2 362.477 2.860 20 30 FFEDLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115597482 508416612 /nfs/dbraw/zinc/41/66/12/508416612.db2.gz CQQVYPAVNPPKRK-HXUWFJFHSA-N 2 2 350.466 2.716 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000123783071 508737777 /nfs/dbraw/zinc/73/77/77/508737777.db2.gz WIONOHBUMSCJPH-CQSZACIVSA-N 2 2 371.872 2.838 20 30 FFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000123783071 508737781 /nfs/dbraw/zinc/73/77/81/508737781.db2.gz WIONOHBUMSCJPH-CQSZACIVSA-N 2 2 371.872 2.838 20 30 FFEDLP C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124543968 508848592 /nfs/dbraw/zinc/84/85/92/508848592.db2.gz BBZMCWKITRPGRD-HOJAQTOUSA-N 2 2 365.562 2.763 20 30 FFEDLP C=CCCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124543968 508848594 /nfs/dbraw/zinc/84/85/94/508848594.db2.gz BBZMCWKITRPGRD-HOJAQTOUSA-N 2 2 365.562 2.763 20 30 FFEDLP CC(C)(C)OC(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000148747650 508865637 /nfs/dbraw/zinc/86/56/37/508865637.db2.gz JCQKWTVUEZVDNX-UHFFFAOYSA-N 2 2 358.486 2.637 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161386670 509109781 /nfs/dbraw/zinc/10/97/81/509109781.db2.gz FVTPFKABERIZLT-CQSZACIVSA-N 2 2 369.856 2.756 20 30 FFEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000121306231 509165246 /nfs/dbraw/zinc/16/52/46/509165246.db2.gz HVMZCKQUPJSAIQ-UHFFFAOYSA-N 2 2 373.928 2.568 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266884116 509240967 /nfs/dbraw/zinc/24/09/67/509240967.db2.gz AYRYMZVGCYWXJF-DLBZAZTESA-N 2 2 351.454 2.924 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266884116 509240974 /nfs/dbraw/zinc/24/09/74/509240974.db2.gz AYRYMZVGCYWXJF-DLBZAZTESA-N 2 2 351.454 2.924 20 30 FFEDLP N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177253690 509961495 /nfs/dbraw/zinc/96/14/95/509961495.db2.gz VPCPXBUUAHXMLA-UHFFFAOYSA-N 2 2 362.412 2.600 20 30 FFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514672 509978430 /nfs/dbraw/zinc/97/84/30/509978430.db2.gz CHACUFXSAORQBC-ICSRJNTNSA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514672 509978435 /nfs/dbraw/zinc/97/84/35/509978435.db2.gz CHACUFXSAORQBC-ICSRJNTNSA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514672 509978441 /nfs/dbraw/zinc/97/84/41/509978441.db2.gz CHACUFXSAORQBC-ICSRJNTNSA-N 2 2 354.498 2.717 20 30 FFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514672 509978444 /nfs/dbraw/zinc/97/84/44/509978444.db2.gz CHACUFXSAORQBC-ICSRJNTNSA-N 2 2 354.498 2.717 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269136091 510253335 /nfs/dbraw/zinc/25/33/35/510253335.db2.gz MNYWBMANCSHWRL-UHFFFAOYSA-N 2 2 363.893 2.701 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000269136091 510253344 /nfs/dbraw/zinc/25/33/44/510253344.db2.gz MNYWBMANCSHWRL-UHFFFAOYSA-N 2 2 363.893 2.701 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000177905462 510318186 /nfs/dbraw/zinc/31/81/86/510318186.db2.gz YTBDTKIZVOYTBK-OAHLLOKOSA-N 2 2 361.486 2.661 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000181535432 510459464 /nfs/dbraw/zinc/45/94/64/510459464.db2.gz IQMCOGSVNZDRFZ-UHFFFAOYSA-N 3 2 352.526 2.987 20 30 FFEDLP Cc1c(C#N)cccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000178580960 510673179 /nfs/dbraw/zinc/67/31/79/510673179.db2.gz UASGOBVHWVIWTB-UHFFFAOYSA-N 2 2 369.513 2.939 20 30 FFEDLP C[N@@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)CC[C@H]21 ZINC000330121691 510920877 /nfs/dbraw/zinc/92/08/77/510920877.db2.gz GZEJTAWFGNWRST-BRWVUGGUSA-N 2 2 373.545 2.826 20 30 FFEDLP C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)CC[C@H]21 ZINC000330121691 510920883 /nfs/dbraw/zinc/92/08/83/510920883.db2.gz GZEJTAWFGNWRST-BRWVUGGUSA-N 2 2 373.545 2.826 20 30 FFEDLP C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)C2)C1 ZINC000330240161 510943752 /nfs/dbraw/zinc/94/37/52/510943752.db2.gz VVUJURQYWAAJKU-SFHVURJKSA-N 2 2 363.531 2.702 20 30 FFEDLP C[N@H+]1CC[C@]2(CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)C2)C1 ZINC000330240161 510943756 /nfs/dbraw/zinc/94/37/56/510943756.db2.gz VVUJURQYWAAJKU-SFHVURJKSA-N 2 2 363.531 2.702 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000277128967 510954663 /nfs/dbraw/zinc/95/46/63/510954663.db2.gz IHKBOOZKTHMCON-LJQANCHMSA-N 2 2 356.514 2.966 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000277128967 510954665 /nfs/dbraw/zinc/95/46/65/510954665.db2.gz IHKBOOZKTHMCON-LJQANCHMSA-N 2 2 356.514 2.966 20 30 FFEDLP CN(C(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000271868228 511352618 /nfs/dbraw/zinc/35/26/18/511352618.db2.gz LZUPZUAPPNYKEZ-UHFFFAOYSA-N 2 2 368.525 2.903 20 30 FFEDLP C[NH+](C)[C@@]1(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCSC1 ZINC000271867012 511352833 /nfs/dbraw/zinc/35/28/33/511352833.db2.gz LSNFPFKOBJUEAH-HXUWFJFHSA-N 2 2 358.555 2.550 20 30 FFEDLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271961710 511384730 /nfs/dbraw/zinc/38/47/30/511384730.db2.gz RNYHPFHZVBDNOP-HNNXBMFYSA-N 2 2 353.445 2.695 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000280302795 511413435 /nfs/dbraw/zinc/41/34/35/511413435.db2.gz VZTZSPDSBPZYIB-NRFANRHFSA-N 2 2 365.481 2.790 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365626763 511566908 /nfs/dbraw/zinc/56/69/08/511566908.db2.gz JLRONAPIDIAMQL-CQSZACIVSA-N 2 2 357.845 2.763 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365626763 511566914 /nfs/dbraw/zinc/56/69/14/511566914.db2.gz JLRONAPIDIAMQL-CQSZACIVSA-N 2 2 357.845 2.763 20 30 FFEDLP C#CC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824512 511790476 /nfs/dbraw/zinc/79/04/76/511790476.db2.gz QQEGOJXZNGACGH-SFTDATJTSA-N 2 2 368.525 2.561 20 30 FFEDLP C#CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000363824512 511790482 /nfs/dbraw/zinc/79/04/82/511790482.db2.gz QQEGOJXZNGACGH-SFTDATJTSA-N 2 2 368.525 2.561 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC([NH+]3CCCCC3)CC1)CCC2 ZINC000328705723 511918650 /nfs/dbraw/zinc/91/86/50/511918650.db2.gz LGDYENXECPLYKB-KRWDZBQOSA-N 2 2 359.518 2.933 20 30 FFEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000328824379 511938023 /nfs/dbraw/zinc/93/80/23/511938023.db2.gz GZRPOLRQWUDQOK-SFHVURJKSA-N 2 2 353.470 2.576 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000328855533 511940723 /nfs/dbraw/zinc/94/07/23/511940723.db2.gz JWPJROMHLLAAJV-INIZCTEOSA-N 2 2 359.518 2.921 20 30 FFEDLP Cc1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000329221365 512007792 /nfs/dbraw/zinc/00/77/92/512007792.db2.gz URRZOPMHKCXFGL-SJORKVTESA-N 2 2 363.506 2.798 20 30 FFEDLP Cc1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000329221365 512007797 /nfs/dbraw/zinc/00/77/97/512007797.db2.gz URRZOPMHKCXFGL-SJORKVTESA-N 2 2 363.506 2.798 20 30 FFEDLP C[C@@H]1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(=O)N1 ZINC000329405083 512041077 /nfs/dbraw/zinc/04/10/77/512041077.db2.gz CNFXXFJXBQRNTC-CVEARBPZSA-N 2 2 350.507 2.648 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)cc1 ZINC000376181746 512697142 /nfs/dbraw/zinc/69/71/42/512697142.db2.gz ORXFDOFOGYJFEB-UHFFFAOYSA-N 2 2 361.489 2.642 20 30 FFEDLP C[C@@](C#N)(NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374520783 512871866 /nfs/dbraw/zinc/87/18/66/512871866.db2.gz NSPWQUWADGJCSC-KNQAVFIVSA-N 2 2 368.525 2.685 20 30 FFEDLP C[C@@](C#N)(NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000374520783 512871869 /nfs/dbraw/zinc/87/18/69/512871869.db2.gz NSPWQUWADGJCSC-KNQAVFIVSA-N 2 2 368.525 2.685 20 30 FFEDLP Cc1cc(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425205405 513451732 /nfs/dbraw/zinc/45/17/32/513451732.db2.gz JAUZOLXJMRQZBK-IAGOWNOFSA-N 2 2 350.466 2.905 20 30 FFEDLP Cc1cc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C#N)c[nH+]1 ZINC000425207973 513452975 /nfs/dbraw/zinc/45/29/75/513452975.db2.gz NRRZOGJORKOILL-IAGOWNOFSA-N 2 2 350.466 2.905 20 30 FFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000441254655 513522464 /nfs/dbraw/zinc/52/24/64/513522464.db2.gz FUZJADWZAMXFCT-JFIYKMOQSA-N 2 2 365.424 2.843 20 30 FFEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000441254655 513522473 /nfs/dbraw/zinc/52/24/73/513522473.db2.gz FUZJADWZAMXFCT-JFIYKMOQSA-N 2 2 365.424 2.843 20 30 FFEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1OC ZINC000414863223 514328949 /nfs/dbraw/zinc/32/89/49/514328949.db2.gz ICPJTKUFQICIPB-CYBMUJFWSA-N 2 2 355.276 2.864 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000424296055 514448636 /nfs/dbraw/zinc/44/86/36/514448636.db2.gz OBFQJEOSAYOKOG-HLAWJBBLSA-N 2 2 351.498 2.854 20 30 FFEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000424296055 514448641 /nfs/dbraw/zinc/44/86/41/514448641.db2.gz OBFQJEOSAYOKOG-HLAWJBBLSA-N 2 2 351.498 2.854 20 30 FFEDLP C=C[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000489449955 514850536 /nfs/dbraw/zinc/85/05/36/514850536.db2.gz VMLQZJOYCDIHEM-FQEVSTJZSA-N 2 2 371.525 2.770 20 30 FFEDLP C=C[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000489449955 514850542 /nfs/dbraw/zinc/85/05/42/514850542.db2.gz VMLQZJOYCDIHEM-FQEVSTJZSA-N 2 2 371.525 2.770 20 30 FFEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000489449955 514850548 /nfs/dbraw/zinc/85/05/48/514850548.db2.gz VMLQZJOYCDIHEM-FQEVSTJZSA-N 2 2 371.525 2.770 20 30 FFEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000489449955 514850555 /nfs/dbraw/zinc/85/05/55/514850555.db2.gz VMLQZJOYCDIHEM-FQEVSTJZSA-N 2 2 371.525 2.770 20 30 FFEDLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000507420616 516207706 /nfs/dbraw/zinc/20/77/06/516207706.db2.gz JKAAQIFVRFDWLR-LJQANCHMSA-N 2 2 354.498 2.906 20 30 FFEDLP CC(C)[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000519090571 516881354 /nfs/dbraw/zinc/88/13/54/516881354.db2.gz USLDGTVIRLKDEU-NRFANRHFSA-N 2 2 368.525 2.713 20 30 FFEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000552029064 517040141 /nfs/dbraw/zinc/04/01/41/517040141.db2.gz AWGKGYZEZYCRSC-QMMLZNLJSA-N 2 2 365.477 2.723 20 30 FFEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000552029064 517040147 /nfs/dbraw/zinc/04/01/47/517040147.db2.gz AWGKGYZEZYCRSC-QMMLZNLJSA-N 2 2 365.477 2.723 20 30 FFEDLP C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccn3cc[nH+]c3c2)c(OC)c1 ZINC000520568852 517439973 /nfs/dbraw/zinc/43/99/73/517439973.db2.gz JCJRJMALQDBNPB-SFHVURJKSA-N 2 2 367.449 2.601 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533865652 517644920 /nfs/dbraw/zinc/64/49/20/517644920.db2.gz VCWUYWINYPOBIC-CYBMUJFWSA-N 2 2 369.494 2.660 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000533865652 517644928 /nfs/dbraw/zinc/64/49/28/517644928.db2.gz VCWUYWINYPOBIC-CYBMUJFWSA-N 2 2 369.494 2.660 20 30 FFEDLP C=CCOc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000549908585 517774528 /nfs/dbraw/zinc/77/45/28/517774528.db2.gz KPZFLYWITVEAAP-OAQYLSRUSA-N 2 2 352.478 2.760 20 30 FFEDLP C=CCOc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000549908585 517774531 /nfs/dbraw/zinc/77/45/31/517774531.db2.gz KPZFLYWITVEAAP-OAQYLSRUSA-N 2 2 352.478 2.760 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000550327780 517998491 /nfs/dbraw/zinc/99/84/91/517998491.db2.gz IHUSPEUUIUVPCG-UNMCSNQZSA-N 2 2 365.477 2.725 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)Cc3ccco3)CC2)cc1 ZINC000539494756 518075881 /nfs/dbraw/zinc/07/58/81/518075881.db2.gz OQTLPACBMYRMQJ-LJQANCHMSA-N 2 2 353.466 2.556 20 30 FFEDLP CNC(=O)c1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328635939 518571729 /nfs/dbraw/zinc/57/17/29/518571729.db2.gz NUWXURHSQYGSKK-AZUAARDMSA-N 2 2 369.513 2.869 20 30 FFEDLP CNC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328635939 518571731 /nfs/dbraw/zinc/57/17/31/518571731.db2.gz NUWXURHSQYGSKK-AZUAARDMSA-N 2 2 369.513 2.869 20 30 FFEDLP CNC(=O)c1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328635939 518571732 /nfs/dbraw/zinc/57/17/32/518571732.db2.gz NUWXURHSQYGSKK-AZUAARDMSA-N 2 2 369.513 2.869 20 30 FFEDLP CNC(=O)c1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328635939 518571735 /nfs/dbraw/zinc/57/17/35/518571735.db2.gz NUWXURHSQYGSKK-AZUAARDMSA-N 2 2 369.513 2.869 20 30 FFEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000567995325 518822721 /nfs/dbraw/zinc/82/27/21/518822721.db2.gz HXPDESIOHKXXRS-QFIPXVFZSA-N 2 2 364.493 2.892 20 30 FFEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000567995325 518822727 /nfs/dbraw/zinc/82/27/27/518822727.db2.gz HXPDESIOHKXXRS-QFIPXVFZSA-N 2 2 364.493 2.892 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000565924965 519197949 /nfs/dbraw/zinc/19/79/49/519197949.db2.gz ZCLIJVLALVHMJB-OXJNMPFZSA-N 2 2 358.486 2.676 20 30 FFEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1=O ZINC000594499432 520003886 /nfs/dbraw/zinc/00/38/86/520003886.db2.gz GVVVSEXQVPMZOG-GOSISDBHSA-N 2 2 365.481 2.502 20 30 FFEDLP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595044842 520268853 /nfs/dbraw/zinc/26/88/53/520268853.db2.gz GGXPVFMPEQBAIL-QFIPXVFZSA-N 2 2 371.525 2.944 20 30 FFEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595098867 520293088 /nfs/dbraw/zinc/29/30/88/520293088.db2.gz KAGXBWOAVYQXHY-GGAORHGYSA-N 2 2 360.505 2.951 20 30 FFEDLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595098867 520293095 /nfs/dbraw/zinc/29/30/95/520293095.db2.gz KAGXBWOAVYQXHY-GGAORHGYSA-N 2 2 360.505 2.951 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508846 520519083 /nfs/dbraw/zinc/51/90/83/520519083.db2.gz YRPZZKQUFZOOGB-LAUBAEHRSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508846 520519092 /nfs/dbraw/zinc/51/90/92/520519092.db2.gz YRPZZKQUFZOOGB-LAUBAEHRSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595508846 520519097 /nfs/dbraw/zinc/51/90/97/520519097.db2.gz YRPZZKQUFZOOGB-LAUBAEHRSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595508846 520519107 /nfs/dbraw/zinc/51/91/07/520519107.db2.gz YRPZZKQUFZOOGB-LAUBAEHRSA-N 2 2 372.488 2.879 20 30 FFEDLP C=CCOc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000154215126 568471396 /nfs/dbraw/zinc/47/13/96/568471396.db2.gz SQWRRBVPEQGHFX-YOFSQIOKSA-N 2 2 369.509 2.634 20 30 FFEDLP C=CCOc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000154215126 568471397 /nfs/dbraw/zinc/47/13/97/568471397.db2.gz SQWRRBVPEQGHFX-YOFSQIOKSA-N 2 2 369.509 2.634 20 30 FFEDLP CCOC(=O)C1CC[NH+](C2CCN(c3ccc(CC#N)c(C)[nH+]3)CC2)CC1 ZINC001164616525 719032709 /nfs/dbraw/zinc/03/27/09/719032709.db2.gz FFAJXWWXJWIVPL-UHFFFAOYSA-N 2 2 370.497 2.700 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)[C@H](C)C1 ZINC000877030032 732314618 /nfs/dbraw/zinc/31/46/18/732314618.db2.gz WLFRFFHKXXEXFZ-RHSMWYFYSA-N 2 2 350.894 2.833 20 30 FFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)[C@H](C)C1 ZINC000877030032 732314623 /nfs/dbraw/zinc/31/46/23/732314623.db2.gz WLFRFFHKXXEXFZ-RHSMWYFYSA-N 2 2 350.894 2.833 20 30 FFEDLP C=CC[C@H]([NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1)C(=O)OC ZINC000905760936 736394728 /nfs/dbraw/zinc/39/47/28/736394728.db2.gz VNMOCRZYEUTAHH-INIZCTEOSA-N 2 2 351.516 2.625 20 30 FFEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000778188827 738362816 /nfs/dbraw/zinc/36/28/16/738362816.db2.gz JFDQEQCYHCDYAH-HNNXBMFYSA-N 2 2 360.255 2.762 20 30 FFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001028151447 742787682 /nfs/dbraw/zinc/78/76/82/742787682.db2.gz DGJKVVCCFHBCOP-QRVBRYPASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001028151447 742787689 /nfs/dbraw/zinc/78/76/89/742787689.db2.gz DGJKVVCCFHBCOP-QRVBRYPASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151447 742787694 /nfs/dbraw/zinc/78/76/94/742787694.db2.gz DGJKVVCCFHBCOP-QRVBRYPASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001028151447 742787699 /nfs/dbraw/zinc/78/76/99/742787699.db2.gz DGJKVVCCFHBCOP-QRVBRYPASA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001105053802 971424530 /nfs/dbraw/zinc/42/45/30/971424530.db2.gz AYCAJIZGNPAHHD-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001105053802 971424538 /nfs/dbraw/zinc/42/45/38/971424538.db2.gz AYCAJIZGNPAHHD-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP CC[NH+]=C(NCc1ccc2c(c1)COC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261969240 965095454 /nfs/dbraw/zinc/09/54/54/965095454.db2.gz MGKAZUDTRTUXBI-JXFKEZNVSA-N 2 2 367.497 2.962 20 30 FFEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000329846793 968160596 /nfs/dbraw/zinc/16/05/96/968160596.db2.gz QVLFCTVRZFCALV-QGZVFWFLSA-N 2 2 368.481 2.986 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H]1CC ZINC001087607357 968342907 /nfs/dbraw/zinc/34/29/07/968342907.db2.gz ZOTAJISEKSEZQT-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)[C@@H]1CC ZINC001087607357 968342914 /nfs/dbraw/zinc/34/29/14/968342914.db2.gz ZOTAJISEKSEZQT-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)[C@@H]1CC ZINC001087607357 968342926 /nfs/dbraw/zinc/34/29/26/968342926.db2.gz ZOTAJISEKSEZQT-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C)c2)[C@@H]1CC ZINC001087607357 968342928 /nfs/dbraw/zinc/34/29/28/968342928.db2.gz ZOTAJISEKSEZQT-HBMCJLEFSA-N 2 2 353.510 2.562 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001211685571 975187551 /nfs/dbraw/zinc/18/75/51/975187551.db2.gz CPHZOODBUIEDAG-LSTHTHJFSA-N 2 2 352.482 2.749 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211685571 975187556 /nfs/dbraw/zinc/18/75/56/975187556.db2.gz CPHZOODBUIEDAG-LSTHTHJFSA-N 2 2 352.482 2.749 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211707196 977312084 /nfs/dbraw/zinc/31/20/84/977312084.db2.gz FYZHAFBAQZVILO-DZFGPLHGSA-N 2 2 366.509 2.902 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001076417472 979473354 /nfs/dbraw/zinc/47/33/54/979473354.db2.gz GCOXGVZZJNLJEP-AZUAARDMSA-N 2 2 350.466 2.985 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001076417472 979473361 /nfs/dbraw/zinc/47/33/61/979473361.db2.gz GCOXGVZZJNLJEP-AZUAARDMSA-N 2 2 350.466 2.985 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2cccc(C)c2)[C@@H]1C ZINC001088631312 982036123 /nfs/dbraw/zinc/03/61/23/982036123.db2.gz FHAHSNCRPPAILH-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2cccc(C)c2)[C@@H]1C ZINC001088631312 982036132 /nfs/dbraw/zinc/03/61/32/982036132.db2.gz FHAHSNCRPPAILH-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2cccc(C)c2)[C@@H]1C ZINC001088631312 982036144 /nfs/dbraw/zinc/03/61/44/982036144.db2.gz FHAHSNCRPPAILH-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2cccc(C)c2)[C@@H]1C ZINC001088631312 982036152 /nfs/dbraw/zinc/03/61/52/982036152.db2.gz FHAHSNCRPPAILH-HJNYFJLDSA-N 2 2 367.537 2.604 20 30 FFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC(Cc2ccccc2)CC1 ZINC000087056691 982910764 /nfs/dbraw/zinc/91/07/64/982910764.db2.gz MAJNLCFWDNHLBT-UHFFFAOYSA-N 2 2 368.529 2.516 20 30 FFEDLP C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3cn4cccc(C)c4[nH+]3)CCC[C@@H]12 ZINC001107576666 984737601 /nfs/dbraw/zinc/73/76/01/984737601.db2.gz ZGBWENRQIMQOBZ-WIYYLYMNSA-N 2 2 352.482 2.732 20 30 FFEDLP C=CC[N@H+]1CC[C@@]2(CNC(=O)Cc3cn4cccc(C)c4[nH+]3)CCC[C@@H]12 ZINC001107576666 984737607 /nfs/dbraw/zinc/73/76/07/984737607.db2.gz ZGBWENRQIMQOBZ-WIYYLYMNSA-N 2 2 352.482 2.732 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cccc(F)c1 ZINC001079208417 991886393 /nfs/dbraw/zinc/88/63/93/991886393.db2.gz RJLHXBCQRCDGPF-VQTJNVASSA-N 2 2 370.472 2.652 20 30 FFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107024862 993211293 /nfs/dbraw/zinc/21/12/93/993211293.db2.gz CPXVNPSDFQNQKU-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001107024862 993211298 /nfs/dbraw/zinc/21/12/98/993211298.db2.gz CPXVNPSDFQNQKU-SJLPKXTDSA-N 2 2 361.555 2.757 20 30 FFEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1c1ccccc1 ZINC001081205256 993754813 /nfs/dbraw/zinc/75/48/13/993754813.db2.gz NEVKWJYVWTWFJU-FCHUYYIVSA-N 2 2 370.456 2.703 20 30 FFEDLP CCCC[N@H+](C)C[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000809145539 994425945 /nfs/dbraw/zinc/42/59/45/994425945.db2.gz ZVTKPYSXAGJXSF-HNNXBMFYSA-N 2 2 369.513 2.767 20 30 FFEDLP CCCC[N@@H+](C)C[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000809145539 994425949 /nfs/dbraw/zinc/42/59/49/994425949.db2.gz ZVTKPYSXAGJXSF-HNNXBMFYSA-N 2 2 369.513 2.767 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054199679 1015960064 /nfs/dbraw/zinc/96/00/64/1015960064.db2.gz CUOSZDMTNZCHLJ-OPYAIIAOSA-N 2 2 356.514 2.804 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054199679 1015960074 /nfs/dbraw/zinc/96/00/74/1015960074.db2.gz CUOSZDMTNZCHLJ-OPYAIIAOSA-N 2 2 356.514 2.804 20 30 FFEDLP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2C1 ZINC001054282196 1016018996 /nfs/dbraw/zinc/01/89/96/1016018996.db2.gz UXQJSYAFQPKQBA-RTBURBONSA-N 2 2 350.466 2.732 20 30 FFEDLP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2C1 ZINC001054282196 1016019003 /nfs/dbraw/zinc/01/90/03/1016019003.db2.gz UXQJSYAFQPKQBA-RTBURBONSA-N 2 2 350.466 2.732 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000730280046 997055224 /nfs/dbraw/zinc/05/52/24/997055224.db2.gz YSBPHGRMRGLIRN-LEWJYISDSA-N 2 2 353.510 2.673 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000730280046 997055232 /nfs/dbraw/zinc/05/52/32/997055232.db2.gz YSBPHGRMRGLIRN-LEWJYISDSA-N 2 2 353.510 2.673 20 30 FFEDLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371646 997816834 /nfs/dbraw/zinc/81/68/34/997816834.db2.gz PSPBAXNTFAQMMR-JOCHJYFZSA-N 2 2 365.477 2.556 20 30 FFEDLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371646 997816844 /nfs/dbraw/zinc/81/68/44/997816844.db2.gz PSPBAXNTFAQMMR-JOCHJYFZSA-N 2 2 365.477 2.556 20 30 FFEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001171215575 1000218264 /nfs/dbraw/zinc/21/82/64/1000218264.db2.gz AVNDFWJMKCTWQO-ZPMCFJSWSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001171215575 1000218272 /nfs/dbraw/zinc/21/82/72/1000218272.db2.gz AVNDFWJMKCTWQO-ZPMCFJSWSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001171215575 1000218278 /nfs/dbraw/zinc/21/82/78/1000218278.db2.gz AVNDFWJMKCTWQO-ZPMCFJSWSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001171215575 1000218286 /nfs/dbraw/zinc/21/82/86/1000218286.db2.gz AVNDFWJMKCTWQO-ZPMCFJSWSA-N 2 2 363.509 2.677 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001109733590 1000920557 /nfs/dbraw/zinc/92/05/57/1000920557.db2.gz XBJJEJUACDWNNN-FYQPLNBISA-N 2 2 373.928 2.753 20 30 FFEDLP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001109733590 1000920560 /nfs/dbraw/zinc/92/05/60/1000920560.db2.gz XBJJEJUACDWNNN-FYQPLNBISA-N 2 2 373.928 2.753 20 30 FFEDLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001109772902 1000981002 /nfs/dbraw/zinc/98/10/02/1000981002.db2.gz XFAZNIIENUEJTN-LDTOTXGLSA-N 2 2 363.465 2.628 20 30 FFEDLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001109772902 1000981007 /nfs/dbraw/zinc/98/10/07/1000981007.db2.gz XFAZNIIENUEJTN-LDTOTXGLSA-N 2 2 363.465 2.628 20 30 FFEDLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)cc1F ZINC001110005795 1001279197 /nfs/dbraw/zinc/27/91/97/1001279197.db2.gz DFJHOTYQHJFHKW-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1F ZINC001110005795 1001279204 /nfs/dbraw/zinc/27/92/04/1001279204.db2.gz DFJHOTYQHJFHKW-HOJAQTOUSA-N 2 2 372.488 2.651 20 30 FFEDLP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359540 1001354299 /nfs/dbraw/zinc/35/42/99/1001354299.db2.gz SHNKNQUPSPBTRC-ATZDWAIDSA-N 2 2 365.481 2.850 20 30 FFEDLP C[C@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359540 1001354305 /nfs/dbraw/zinc/35/43/05/1001354305.db2.gz SHNKNQUPSPBTRC-ATZDWAIDSA-N 2 2 365.481 2.850 20 30 FFEDLP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171360488 1001361006 /nfs/dbraw/zinc/36/10/06/1001361006.db2.gz ZWCCGECPRNGTIV-MGPQQGTHSA-N 2 2 369.307 2.686 20 30 FFEDLP C=C(Br)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171360488 1001361008 /nfs/dbraw/zinc/36/10/08/1001361008.db2.gz ZWCCGECPRNGTIV-MGPQQGTHSA-N 2 2 369.307 2.686 20 30 FFEDLP C=CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@]2(C)C1 ZINC001092159577 1002446323 /nfs/dbraw/zinc/44/63/23/1002446323.db2.gz ANOHWPXJVNLVNX-NQIIRXRSSA-N 2 2 350.466 2.842 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@]2(C)C1 ZINC001092159577 1002446329 /nfs/dbraw/zinc/44/63/29/1002446329.db2.gz ANOHWPXJVNLVNX-NQIIRXRSSA-N 2 2 350.466 2.842 20 30 FFEDLP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086594928 1002598417 /nfs/dbraw/zinc/59/84/17/1002598417.db2.gz BIFSHIMDGJFVCY-GHTZIAJQSA-N 2 2 358.445 2.784 20 30 FFEDLP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001086594928 1002598426 /nfs/dbraw/zinc/59/84/26/1002598426.db2.gz BIFSHIMDGJFVCY-GHTZIAJQSA-N 2 2 358.445 2.784 20 30 FFEDLP C=CC[C@@]1(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)CCC[NH2+]1 ZINC000852873328 1006215383 /nfs/dbraw/zinc/21/53/83/1006215383.db2.gz RRNIMBURHKDBMO-NRFANRHFSA-N 2 2 356.514 2.536 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C[C@H]1C#N ZINC001172979342 1012149961 /nfs/dbraw/zinc/14/99/61/1012149961.db2.gz RBXFPPCEVJTNPD-HOTGVXAUSA-N 2 2 355.442 2.716 20 30 FFEDLP C=CCN1CCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C1=O ZINC001275541001 1012596278 /nfs/dbraw/zinc/59/62/78/1012596278.db2.gz KWDZRBMYRLRHMZ-UHFFFAOYSA-N 2 2 350.466 2.873 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[N@@H+]1C ZINC000123640246 1012935027 /nfs/dbraw/zinc/93/50/27/1012935027.db2.gz SSILJLFAPGVWCC-DJIMGWMZSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[N@H+]1C ZINC000123640246 1012935037 /nfs/dbraw/zinc/93/50/37/1012935037.db2.gz SSILJLFAPGVWCC-DJIMGWMZSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[NH+]1C ZINC000123640246 1012935053 /nfs/dbraw/zinc/93/50/53/1012935053.db2.gz SSILJLFAPGVWCC-DJIMGWMZSA-N 2 2 363.465 2.638 20 30 FFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC[NH+]1C ZINC000123640246 1012935066 /nfs/dbraw/zinc/93/50/66/1012935066.db2.gz SSILJLFAPGVWCC-DJIMGWMZSA-N 2 2 363.465 2.638 20 30 FFEDLP C=CCC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cccc2C1 ZINC001051298727 1017274465 /nfs/dbraw/zinc/27/44/65/1017274465.db2.gz GJFIZPYNIIJFAO-WOJBJXKFSA-N 2 2 364.493 2.774 20 30 FFEDLP C=CCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cccc2C1 ZINC001051298727 1017274477 /nfs/dbraw/zinc/27/44/77/1017274477.db2.gz GJFIZPYNIIJFAO-WOJBJXKFSA-N 2 2 364.493 2.774 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccccc2C#N)CC1 ZINC001098096845 1019503295 /nfs/dbraw/zinc/50/32/95/1019503295.db2.gz IUNYRBWQYYIFPQ-NJYVYQBISA-N 2 2 366.509 2.512 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccccc2C#N)CC1 ZINC001098096845 1019503305 /nfs/dbraw/zinc/50/33/05/1019503305.db2.gz IUNYRBWQYYIFPQ-NJYVYQBISA-N 2 2 366.509 2.512 20 30 FFEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000931728169 1020564871 /nfs/dbraw/zinc/56/48/71/1020564871.db2.gz OGTTVUGQRLUULL-LSDHHAIUSA-N 2 2 372.538 2.996 20 30 FFEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000931728169 1020564881 /nfs/dbraw/zinc/56/48/81/1020564881.db2.gz OGTTVUGQRLUULL-LSDHHAIUSA-N 2 2 372.538 2.996 20 30 FFEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000931728169 1020564887 /nfs/dbraw/zinc/56/48/87/1020564887.db2.gz OGTTVUGQRLUULL-LSDHHAIUSA-N 2 2 372.538 2.996 20 30 FFEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000931728169 1020564893 /nfs/dbraw/zinc/56/48/93/1020564893.db2.gz OGTTVUGQRLUULL-LSDHHAIUSA-N 2 2 372.538 2.996 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001111040284 1020893496 /nfs/dbraw/zinc/89/34/96/1020893496.db2.gz DLAAKIFHGHETRU-NNIGNNQHSA-N 2 2 356.514 2.992 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001111040284 1020893502 /nfs/dbraw/zinc/89/35/02/1020893502.db2.gz DLAAKIFHGHETRU-NNIGNNQHSA-N 2 2 356.514 2.992 20 30 FFEDLP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000948380985 1023243866 /nfs/dbraw/zinc/24/38/66/1023243866.db2.gz AYEJDQWQNMVICD-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000948380985 1023243871 /nfs/dbraw/zinc/24/38/71/1023243871.db2.gz AYEJDQWQNMVICD-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281062 1024311623 /nfs/dbraw/zinc/31/16/23/1024311623.db2.gz GFFXNIPLEGTSGB-KNKQGSTJSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001101281062 1024311639 /nfs/dbraw/zinc/31/16/39/1024311639.db2.gz GFFXNIPLEGTSGB-KNKQGSTJSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001101282871 1024315382 /nfs/dbraw/zinc/31/53/82/1024315382.db2.gz IWGCZVFOEKHSGE-KNKQGSTJSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001101282871 1024315396 /nfs/dbraw/zinc/31/53/96/1024315396.db2.gz IWGCZVFOEKHSGE-KNKQGSTJSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104160 1025430104 /nfs/dbraw/zinc/43/01/04/1025430104.db2.gz IMKVUEKBCRUBAR-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001102104160 1025430108 /nfs/dbraw/zinc/43/01/08/1025430108.db2.gz IMKVUEKBCRUBAR-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP CC1(C)CCCc2cc(C#N)c(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)nc21 ZINC001158266662 1029778678 /nfs/dbraw/zinc/77/86/78/1029778678.db2.gz JTABLVFEYMYIBI-KRWDZBQOSA-N 2 2 353.514 2.569 20 30 FFEDLP CC1(C)CCCc2cc(C#N)c(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)nc21 ZINC001158266662 1029778684 /nfs/dbraw/zinc/77/86/84/1029778684.db2.gz JTABLVFEYMYIBI-KRWDZBQOSA-N 2 2 353.514 2.569 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112141362 1030092240 /nfs/dbraw/zinc/09/22/40/1030092240.db2.gz XVYUJGDORMPXNW-RRFJBIMHSA-N 2 2 358.408 2.607 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cccc(F)c1 ZINC001205448894 1031754134 /nfs/dbraw/zinc/75/41/34/1031754134.db2.gz KRIRFSQNSQPVFT-VQTJNVASSA-N 2 2 370.472 2.652 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001226357055 1034648059 /nfs/dbraw/zinc/64/80/59/1034648059.db2.gz ZMNTUODLCSGYDV-MDZRGWNJSA-N 2 2 359.518 2.773 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001226357055 1034648066 /nfs/dbraw/zinc/64/80/66/1034648066.db2.gz ZMNTUODLCSGYDV-MDZRGWNJSA-N 2 2 359.518 2.773 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138953811 1034841221 /nfs/dbraw/zinc/84/12/21/1034841221.db2.gz FCVGWFOYIYHMFI-UHFFFAOYSA-N 2 2 373.932 2.960 20 30 FFEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233102749 1036350827 /nfs/dbraw/zinc/35/08/27/1036350827.db2.gz MIZYNAFJUAOENQ-UHFFFAOYSA-N 2 2 353.445 2.789 20 30 FFEDLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001228853484 1036360560 /nfs/dbraw/zinc/36/05/60/1036360560.db2.gz PVVOMQPUESWCGL-HMXCVIKNSA-N 2 2 364.493 2.903 20 30 FFEDLP C#CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)C1=O ZINC001277889288 1037174861 /nfs/dbraw/zinc/17/48/61/1037174861.db2.gz IAESZGNIHALBNQ-HXUWFJFHSA-N 2 2 368.868 2.583 20 30 FFEDLP C#CCN1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)c(Cl)c3)C2)C1=O ZINC001277889288 1037174870 /nfs/dbraw/zinc/17/48/70/1037174870.db2.gz IAESZGNIHALBNQ-HXUWFJFHSA-N 2 2 368.868 2.583 20 30 FFEDLP CCC[N@H+](CCC#N)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235719012 1037709269 /nfs/dbraw/zinc/70/92/69/1037709269.db2.gz QDEGBTJRWLBHRN-UHFFFAOYSA-N 2 2 365.319 2.984 20 30 FFEDLP CCC[N@@H+](CCC#N)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235719012 1037709285 /nfs/dbraw/zinc/70/92/85/1037709285.db2.gz QDEGBTJRWLBHRN-UHFFFAOYSA-N 2 2 365.319 2.984 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@]3(CCC[N@@H+]([C@H]4CCCC[NH2+]C4)C3)C2)c1 ZINC001246768287 1039474219 /nfs/dbraw/zinc/47/42/19/1039474219.db2.gz UAJAMZZLPGOROS-VXKWHMMOSA-N 2 2 368.525 2.619 20 30 FFEDLP N#Cc1cccc(N2CCOC[C@]3(CCC[N@H+]([C@H]4CCCC[NH2+]C4)C3)C2)c1 ZINC001246768287 1039474228 /nfs/dbraw/zinc/47/42/28/1039474228.db2.gz UAJAMZZLPGOROS-VXKWHMMOSA-N 2 2 368.525 2.619 20 30 FFEDLP C=C[C@@](C)(O)C[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252550711 1039594621 /nfs/dbraw/zinc/59/46/21/1039594621.db2.gz NYLFMJGJMIACPJ-MSOLQXFVSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@@](C)(O)C[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252550711 1039594630 /nfs/dbraw/zinc/59/46/30/1039594630.db2.gz NYLFMJGJMIACPJ-MSOLQXFVSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@@](C)(O)C[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001252550711 1039594640 /nfs/dbraw/zinc/59/46/40/1039594640.db2.gz NYLFMJGJMIACPJ-MSOLQXFVSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@@](C)(O)C[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001252550711 1039594652 /nfs/dbraw/zinc/59/46/52/1039594652.db2.gz NYLFMJGJMIACPJ-MSOLQXFVSA-N 2 2 351.441 2.552 20 30 FFEDLP C=CCC[C@@H](O)C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001252603187 1039610187 /nfs/dbraw/zinc/61/01/87/1039610187.db2.gz OFDSIRVZMPDTCY-CQSZACIVSA-N 2 2 350.260 2.823 20 30 FFEDLP C[NH+]1CCN(c2cc[nH+]cc2-c2nc(-c3cc(F)cc(C#N)c3)no2)CC1 ZINC001214672126 1041528402 /nfs/dbraw/zinc/52/84/02/1041528402.db2.gz SFRACKQHHZJYMW-UHFFFAOYSA-N 2 2 364.384 2.561 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001216367107 1042010950 /nfs/dbraw/zinc/01/09/50/1042010950.db2.gz ZVGAYHRJOWIAPF-GPMSIDNRSA-N 2 2 353.470 2.672 20 30 FFEDLP COC(C)(C)C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280055980 1044145771 /nfs/dbraw/zinc/14/57/71/1044145771.db2.gz CWAWGJCFDGAUBL-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280055980 1044145774 /nfs/dbraw/zinc/14/57/74/1044145774.db2.gz CWAWGJCFDGAUBL-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280055980 1044145776 /nfs/dbraw/zinc/14/57/76/1044145776.db2.gz CWAWGJCFDGAUBL-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP COC(C)(C)C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280055980 1044145781 /nfs/dbraw/zinc/14/57/81/1044145781.db2.gz CWAWGJCFDGAUBL-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP CC(C)OCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280080193 1044181150 /nfs/dbraw/zinc/18/11/50/1044181150.db2.gz CTXRXNHRFFOESW-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP CC(C)OCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280080193 1044181151 /nfs/dbraw/zinc/18/11/51/1044181151.db2.gz CTXRXNHRFFOESW-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP CC(C)OCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280080193 1044181155 /nfs/dbraw/zinc/18/11/55/1044181155.db2.gz CTXRXNHRFFOESW-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP CC(C)OCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280080193 1044181158 /nfs/dbraw/zinc/18/11/58/1044181158.db2.gz CTXRXNHRFFOESW-NRFANRHFSA-N 2 2 358.530 3.000 20 30 FFEDLP N#Cc1cc(-c2cc(C[NH+]3CCOCC3)ccc2F)cc(C2C[NH2+]C2)c1 ZINC001240361339 1044322697 /nfs/dbraw/zinc/32/26/97/1044322697.db2.gz PABHQVCZDHSDRS-UHFFFAOYSA-N 2 2 351.425 2.883 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@@]3(CCC[NH+](CC(C)(C)CO)C3)C2)cc1C#N ZINC001280187611 1044374246 /nfs/dbraw/zinc/37/42/46/1044374246.db2.gz JWJPJKLKEDVABL-OAQYLSRUSA-N 2 2 358.530 2.593 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@@]3(CCC[NH+](CC(C)(C)CO)C3)C2)cc1C#N ZINC001280187611 1044374258 /nfs/dbraw/zinc/37/42/58/1044374258.db2.gz JWJPJKLKEDVABL-OAQYLSRUSA-N 2 2 358.530 2.593 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@H+](CC(C)(C)CO)C3)C2)cc1C#N ZINC001280187611 1044374264 /nfs/dbraw/zinc/37/42/64/1044374264.db2.gz JWJPJKLKEDVABL-OAQYLSRUSA-N 2 2 358.530 2.593 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@@]3(CCC[N@@H+](CC(C)(C)CO)C3)C2)cc1C#N ZINC001280187611 1044374277 /nfs/dbraw/zinc/37/42/77/1044374277.db2.gz JWJPJKLKEDVABL-OAQYLSRUSA-N 2 2 358.530 2.593 20 30 FFEDLP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001281906425 1045230761 /nfs/dbraw/zinc/23/07/61/1045230761.db2.gz WYXSEJVQWSRHCE-SOAMZJECSA-N 2 2 350.466 2.851 20 30 FFEDLP C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001281906425 1045230772 /nfs/dbraw/zinc/23/07/72/1045230772.db2.gz WYXSEJVQWSRHCE-SOAMZJECSA-N 2 2 350.466 2.851 20 30 FFEDLP CN(C)c1ccccc1CN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323517555 1045621380 /nfs/dbraw/zinc/62/13/80/1045621380.db2.gz JHGKCYSPKGXOJI-UHFFFAOYSA-N 2 2 369.488 2.767 20 30 FFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001340390711 1050783868 /nfs/dbraw/zinc/78/38/68/1050783868.db2.gz RWMYLYAPNUJUCZ-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001340390711 1050783877 /nfs/dbraw/zinc/78/38/77/1050783877.db2.gz RWMYLYAPNUJUCZ-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001340390711 1050783893 /nfs/dbraw/zinc/78/38/93/1050783893.db2.gz RWMYLYAPNUJUCZ-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001340390711 1050783904 /nfs/dbraw/zinc/78/39/04/1050783904.db2.gz RWMYLYAPNUJUCZ-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001339569068 1056593623 /nfs/dbraw/zinc/59/36/23/1056593623.db2.gz ZHCLNISMBBAXTM-GOSISDBHSA-N 2 2 360.550 2.618 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001339569068 1056593638 /nfs/dbraw/zinc/59/36/38/1056593638.db2.gz ZHCLNISMBBAXTM-GOSISDBHSA-N 2 2 360.550 2.618 20 30 FFEDLP C[NH+]1CCC(CNc2cc(C#N)nc(C3CC3)n2)([NH+]2CCCCC2)CC1 ZINC000601122289 1060681360 /nfs/dbraw/zinc/68/13/60/1060681360.db2.gz WHMSMTUVHHWSNS-UHFFFAOYSA-N 2 2 354.502 2.588 20 30 FFEDLP C#CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CCC1 ZINC001473819563 1065375369 /nfs/dbraw/zinc/37/53/69/1065375369.db2.gz JICIFFVYKIZKMD-UHFFFAOYSA-N 2 2 367.537 2.990 20 30 FFEDLP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331578598 258191487 /nfs/dbraw/zinc/19/14/87/258191487.db2.gz RANGOASGHSFBAH-LSTHTHJFSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331578598 258191488 /nfs/dbraw/zinc/19/14/88/258191488.db2.gz RANGOASGHSFBAH-LSTHTHJFSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331578598 258191489 /nfs/dbraw/zinc/19/14/89/258191489.db2.gz RANGOASGHSFBAH-LSTHTHJFSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000331578598 258191490 /nfs/dbraw/zinc/19/14/90/258191490.db2.gz RANGOASGHSFBAH-LSTHTHJFSA-N 2 2 354.498 2.858 20 30 FFEDLP CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375237396 512225461 /nfs/dbraw/zinc/22/54/61/512225461.db2.gz NSJKWSNBXFRUCN-IBGZPJMESA-N 2 2 366.550 2.632 20 30 FFEDLP CC(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C#N)CC3)CC2)cc1 ZINC000060893331 507583739 /nfs/dbraw/zinc/58/37/39/507583739.db2.gz XCJQRAVLHRHUKP-UHFFFAOYSA-N 2 2 368.525 2.690 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796169 507988043 /nfs/dbraw/zinc/98/80/43/507988043.db2.gz DVQPXSKHEOZUNX-INIZCTEOSA-N 2 2 369.444 2.994 20 30 FFEDLP CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076109000 508159522 /nfs/dbraw/zinc/15/95/22/508159522.db2.gz YPNSSDWLJCDALC-OAQYLSRUSA-N 2 2 371.529 2.674 20 30 FFEDLP CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076109000 508159524 /nfs/dbraw/zinc/15/95/24/508159524.db2.gz YPNSSDWLJCDALC-OAQYLSRUSA-N 2 2 371.529 2.674 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000106214810 508398050 /nfs/dbraw/zinc/39/80/50/508398050.db2.gz FNFZRZPLYMMMGS-DLBZAZTESA-N 2 2 357.502 2.814 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000106214810 508398051 /nfs/dbraw/zinc/39/80/51/508398051.db2.gz FNFZRZPLYMMMGS-DLBZAZTESA-N 2 2 357.502 2.814 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115597413 508416855 /nfs/dbraw/zinc/41/68/55/508416855.db2.gz KXHATJWWRMTZAM-OAQYLSRUSA-N 2 2 362.477 2.647 20 30 FFEDLP N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157534672 508578248 /nfs/dbraw/zinc/57/82/48/508578248.db2.gz RWODRVZLIFKQFT-LJQANCHMSA-N 2 2 354.498 2.884 20 30 FFEDLP N#CCCN(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157534672 508578250 /nfs/dbraw/zinc/57/82/50/508578250.db2.gz RWODRVZLIFKQFT-LJQANCHMSA-N 2 2 354.498 2.884 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154014466 508698529 /nfs/dbraw/zinc/69/85/29/508698529.db2.gz RAQIUYJKDOHIGM-DDUYZKFLSA-N 2 2 370.497 2.854 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154014466 508698533 /nfs/dbraw/zinc/69/85/33/508698533.db2.gz RAQIUYJKDOHIGM-DDUYZKFLSA-N 2 2 370.497 2.854 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000123782881 508737887 /nfs/dbraw/zinc/73/78/87/508737887.db2.gz WIONOHBUMSCJPH-AWEZNQCLSA-N 2 2 371.872 2.838 20 30 FFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000123782881 508737890 /nfs/dbraw/zinc/73/78/90/508737890.db2.gz WIONOHBUMSCJPH-AWEZNQCLSA-N 2 2 371.872 2.838 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159124806 508795726 /nfs/dbraw/zinc/79/57/26/508795726.db2.gz YSVNIPUUFRYELZ-NHCUHLMSSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159124806 508795730 /nfs/dbraw/zinc/79/57/30/508795730.db2.gz YSVNIPUUFRYELZ-NHCUHLMSSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159124806 508795735 /nfs/dbraw/zinc/79/57/35/508795735.db2.gz YSVNIPUUFRYELZ-NHCUHLMSSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159124806 508795739 /nfs/dbraw/zinc/79/57/39/508795739.db2.gz YSVNIPUUFRYELZ-NHCUHLMSSA-N 2 2 368.525 2.735 20 30 FFEDLP C=CCOCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124633874 508862433 /nfs/dbraw/zinc/86/24/33/508862433.db2.gz BMHKPGDWAVEMTL-UXHICEINSA-N 2 2 365.562 2.765 20 30 FFEDLP C=CCOCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124633874 508862436 /nfs/dbraw/zinc/86/24/36/508862436.db2.gz BMHKPGDWAVEMTL-UXHICEINSA-N 2 2 365.562 2.765 20 30 FFEDLP CC(C)[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)[NH+]1CCN(C)CC1 ZINC000267336972 509453395 /nfs/dbraw/zinc/45/33/95/509453395.db2.gz SFEWQKIMMDXMAK-HXUWFJFHSA-N 2 2 357.546 2.564 20 30 FFEDLP N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177277882 509973635 /nfs/dbraw/zinc/97/36/35/509973635.db2.gz HCXOVBROQSTHIN-UHFFFAOYSA-N 2 2 358.449 2.851 20 30 FFEDLP N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177277882 509973644 /nfs/dbraw/zinc/97/36/44/509973644.db2.gz HCXOVBROQSTHIN-UHFFFAOYSA-N 2 2 358.449 2.851 20 30 FFEDLP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C#N)c1C ZINC000245562319 510008984 /nfs/dbraw/zinc/00/89/84/510008984.db2.gz CNBLKGSXQJUESJ-WBMJQRKESA-N 2 2 357.483 2.955 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Nc2ccc(C#N)cc2)([NH+]2CCCCC2)CC1 ZINC000174308581 510051577 /nfs/dbraw/zinc/05/15/77/510051577.db2.gz JXLOSWLUJYOYMH-UHFFFAOYSA-N 2 2 355.486 2.630 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000181058796 510262802 /nfs/dbraw/zinc/26/28/02/510262802.db2.gz VUAGAKQCAJWOAK-UHFFFAOYSA-N 2 2 353.470 2.769 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1C ZINC000181058796 510262807 /nfs/dbraw/zinc/26/28/07/510262807.db2.gz VUAGAKQCAJWOAK-UHFFFAOYSA-N 2 2 353.470 2.769 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)CC1 ZINC000177905445 510317750 /nfs/dbraw/zinc/31/77/50/510317750.db2.gz YTBDTKIZVOYTBK-HNNXBMFYSA-N 2 2 361.486 2.661 20 30 FFEDLP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000246179533 510342266 /nfs/dbraw/zinc/34/22/66/510342266.db2.gz UOEVQAGAHQUXOK-MSOLQXFVSA-N 2 2 369.513 2.855 20 30 FFEDLP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)[nH+]1 ZINC000246179533 510342269 /nfs/dbraw/zinc/34/22/69/510342269.db2.gz UOEVQAGAHQUXOK-MSOLQXFVSA-N 2 2 369.513 2.855 20 30 FFEDLP COc1cccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181735253 510565755 /nfs/dbraw/zinc/56/57/55/510565755.db2.gz LZXCTEAPTDMLFY-QFIPXVFZSA-N 2 2 365.477 2.854 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000247015360 510801170 /nfs/dbraw/zinc/80/11/70/510801170.db2.gz XQINITVBQONRJI-YYWHXJBOSA-N 2 2 364.493 2.612 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000247015360 510801174 /nfs/dbraw/zinc/80/11/74/510801174.db2.gz XQINITVBQONRJI-YYWHXJBOSA-N 2 2 364.493 2.612 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000247015360 510801183 /nfs/dbraw/zinc/80/11/83/510801183.db2.gz XQINITVBQONRJI-YYWHXJBOSA-N 2 2 364.493 2.612 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383337 510883855 /nfs/dbraw/zinc/88/38/55/510883855.db2.gz BONNZUHVYWNPRO-VXKWHMMOSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383337 510883861 /nfs/dbraw/zinc/88/38/61/510883861.db2.gz BONNZUHVYWNPRO-VXKWHMMOSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383337 510883866 /nfs/dbraw/zinc/88/38/66/510883866.db2.gz BONNZUHVYWNPRO-VXKWHMMOSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383337 510883871 /nfs/dbraw/zinc/88/38/71/510883871.db2.gz BONNZUHVYWNPRO-VXKWHMMOSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383341 510884098 /nfs/dbraw/zinc/88/40/98/510884098.db2.gz BONNZUHVYWNPRO-YADHBBJMSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285383341 510884100 /nfs/dbraw/zinc/88/41/00/510884100.db2.gz BONNZUHVYWNPRO-YADHBBJMSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285383341 510884102 /nfs/dbraw/zinc/88/41/02/510884102.db2.gz BONNZUHVYWNPRO-YADHBBJMSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285383341 510884104 /nfs/dbraw/zinc/88/41/04/510884104.db2.gz BONNZUHVYWNPRO-YADHBBJMSA-N 2 2 368.525 2.639 20 30 FFEDLP CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330321091 510963395 /nfs/dbraw/zinc/96/33/95/510963395.db2.gz SAPRIZPIGYCGAA-AWEZNQCLSA-N 2 2 352.504 2.562 20 30 FFEDLP CC(C)(O)[C@@H]1CCC[N@H+]1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330321091 510963396 /nfs/dbraw/zinc/96/33/96/510963396.db2.gz SAPRIZPIGYCGAA-AWEZNQCLSA-N 2 2 352.504 2.562 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000271573152 511249975 /nfs/dbraw/zinc/24/99/75/511249975.db2.gz QBDNUCVTULLBCB-KRWDZBQOSA-N 2 2 353.470 2.571 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000271573152 511249978 /nfs/dbraw/zinc/24/99/78/511249978.db2.gz QBDNUCVTULLBCB-KRWDZBQOSA-N 2 2 353.470 2.571 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312139559 511781922 /nfs/dbraw/zinc/78/19/22/511781922.db2.gz YOGAIIGDGUNMFU-NHCUHLMSSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312139559 511781925 /nfs/dbraw/zinc/78/19/25/511781925.db2.gz YOGAIIGDGUNMFU-NHCUHLMSSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CC(N)=O)c3ccccc3)CC2)cc1 ZINC000293056457 511823916 /nfs/dbraw/zinc/82/39/16/511823916.db2.gz RWUWJSFXUSZWOG-OAQYLSRUSA-N 2 2 362.477 2.729 20 30 FFEDLP Cc1nc2c(cccc2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000328722472 511920384 /nfs/dbraw/zinc/92/03/84/511920384.db2.gz XOUUMHGTYZUSBT-UHFFFAOYSA-N 2 2 355.486 2.735 20 30 FFEDLP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)CC1 ZINC000328973429 511959133 /nfs/dbraw/zinc/95/91/33/511959133.db2.gz VQDVPMSPMVHBNI-IBGZPJMESA-N 2 2 373.545 2.877 20 30 FFEDLP C[NH+]1CCC2(CCCN2C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329083356 511979731 /nfs/dbraw/zinc/97/97/31/511979731.db2.gz SRKDOZQYAWNSDF-INIZCTEOSA-N 2 2 373.545 2.970 20 30 FFEDLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000380624379 512872945 /nfs/dbraw/zinc/87/29/45/512872945.db2.gz SLZAPEBFVKNVDO-QMMLZNLJSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000380624379 512872949 /nfs/dbraw/zinc/87/29/49/512872949.db2.gz SLZAPEBFVKNVDO-QMMLZNLJSA-N 2 2 365.477 2.551 20 30 FFEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000389290822 512900952 /nfs/dbraw/zinc/90/09/52/512900952.db2.gz BZUMYKJTBMSLHV-LEWJYISDSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000389290822 512900955 /nfs/dbraw/zinc/90/09/55/512900955.db2.gz BZUMYKJTBMSLHV-LEWJYISDSA-N 2 2 365.477 2.552 20 30 FFEDLP C=C(C)Cn1c(C(C)C)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421315767 513218039 /nfs/dbraw/zinc/21/80/39/513218039.db2.gz YIJQMLKISZTFBW-UHFFFAOYSA-N 2 2 374.577 2.974 20 30 FFEDLP C=C(C)Cn1c(C(C)C)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421315767 513218042 /nfs/dbraw/zinc/21/80/42/513218042.db2.gz YIJQMLKISZTFBW-UHFFFAOYSA-N 2 2 374.577 2.974 20 30 FFEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000421332262 513226750 /nfs/dbraw/zinc/22/67/50/513226750.db2.gz LGUCJJFXWDNOPM-UHFFFAOYSA-N 2 2 352.457 2.999 20 30 FFEDLP N#CCCn1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)c(-c2ccncc2)n1 ZINC000433307819 514452725 /nfs/dbraw/zinc/45/27/25/514452725.db2.gz WLDZOLCILAVRQY-UHFFFAOYSA-N 2 2 371.448 2.839 20 30 FFEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2=O)cc1 ZINC000540953124 516797448 /nfs/dbraw/zinc/79/74/48/516797448.db2.gz MYIAEXLGVZQVNV-HXUWFJFHSA-N 2 2 352.482 2.518 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(OCCO)cc3)CC2)cc1 ZINC000537309434 517138140 /nfs/dbraw/zinc/13/81/40/517138140.db2.gz YYRHUJHRDXMNKZ-UHFFFAOYSA-N 2 2 365.477 2.684 20 30 FFEDLP Cc1cccn2c(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c[nH+]c12 ZINC000541871403 517265613 /nfs/dbraw/zinc/26/56/13/517265613.db2.gz UDRHEMGMRBPCTG-LJQANCHMSA-N 2 2 359.433 2.800 20 30 FFEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000526135411 517362992 /nfs/dbraw/zinc/36/29/92/517362992.db2.gz AYMDAGMIYVTQSY-NRFANRHFSA-N 2 2 366.509 2.537 20 30 FFEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000526135411 517363007 /nfs/dbraw/zinc/36/30/07/517363007.db2.gz AYMDAGMIYVTQSY-NRFANRHFSA-N 2 2 366.509 2.537 20 30 FFEDLP N#CC1(NC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000526135411 517363019 /nfs/dbraw/zinc/36/30/19/517363019.db2.gz AYMDAGMIYVTQSY-NRFANRHFSA-N 2 2 366.509 2.537 20 30 FFEDLP N#CC1(NC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000526135411 517363029 /nfs/dbraw/zinc/36/30/29/517363029.db2.gz AYMDAGMIYVTQSY-NRFANRHFSA-N 2 2 366.509 2.537 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000527050130 517471149 /nfs/dbraw/zinc/47/11/49/517471149.db2.gz BTEZSLIGZDZHKW-OXJNMPFZSA-N 2 2 373.497 2.571 20 30 FFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC)c2C#N)[C@@H](C)C1 ZINC000527050130 517471157 /nfs/dbraw/zinc/47/11/57/517471157.db2.gz BTEZSLIGZDZHKW-OXJNMPFZSA-N 2 2 373.497 2.571 20 30 FFEDLP N#Cc1cccnc1N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000542466957 517581517 /nfs/dbraw/zinc/58/15/17/517581517.db2.gz PTVLMXKJNQWXLB-UHFFFAOYSA-N 2 2 350.451 2.523 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866288 517647344 /nfs/dbraw/zinc/64/73/44/517647344.db2.gz YCEKLGRKDLPORD-GXTWGEPZSA-N 2 2 357.845 2.762 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866288 517647352 /nfs/dbraw/zinc/64/73/52/517647352.db2.gz YCEKLGRKDLPORD-GXTWGEPZSA-N 2 2 357.845 2.762 20 30 FFEDLP N#Cc1ccc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)s1 ZINC000538608037 517688676 /nfs/dbraw/zinc/68/86/76/517688676.db2.gz QZOJOAFIWSMBIL-UHFFFAOYSA-N 2 2 367.478 2.983 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCN(C(=O)C4CC4)CC3)CC2)cc1 ZINC000542830761 517773108 /nfs/dbraw/zinc/77/31/08/517773108.db2.gz NTZUOMNRBKOYNG-UHFFFAOYSA-N 2 2 366.509 2.513 20 30 FFEDLP Cc1cc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c(C#N)c[nH+]1 ZINC000570565517 518670984 /nfs/dbraw/zinc/67/09/84/518670984.db2.gz ZLSALVYDQUYUGB-KRWDZBQOSA-N 2 2 350.466 2.996 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000579650480 518782341 /nfs/dbraw/zinc/78/23/41/518782341.db2.gz CJRKEUUOARWSPR-LEWJYISDSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000579650480 518782344 /nfs/dbraw/zinc/78/23/44/518782344.db2.gz CJRKEUUOARWSPR-LEWJYISDSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579650480 518782347 /nfs/dbraw/zinc/78/23/47/518782347.db2.gz CJRKEUUOARWSPR-LEWJYISDSA-N 2 2 355.526 2.865 20 30 FFEDLP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579650480 518782352 /nfs/dbraw/zinc/78/23/52/518782352.db2.gz CJRKEUUOARWSPR-LEWJYISDSA-N 2 2 355.526 2.865 20 30 FFEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000567995324 518822270 /nfs/dbraw/zinc/82/22/70/518822270.db2.gz HXPDESIOHKXXRS-JOCHJYFZSA-N 2 2 364.493 2.892 20 30 FFEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000567995324 518822275 /nfs/dbraw/zinc/82/22/75/518822275.db2.gz HXPDESIOHKXXRS-JOCHJYFZSA-N 2 2 364.493 2.892 20 30 FFEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C1 ZINC000589497896 519018636 /nfs/dbraw/zinc/01/86/36/519018636.db2.gz GRUKSDUAMDTVSD-QGZVFWFLSA-N 2 2 366.431 2.789 20 30 FFEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C1 ZINC000589497896 519018639 /nfs/dbraw/zinc/01/86/39/519018639.db2.gz GRUKSDUAMDTVSD-QGZVFWFLSA-N 2 2 366.431 2.789 20 30 FFEDLP N#Cc1ccsc1NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000580474879 519194466 /nfs/dbraw/zinc/19/44/66/519194466.db2.gz RURWKBFPQXHRDO-UHFFFAOYSA-N 2 2 357.483 2.947 20 30 FFEDLP C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000571910583 519343043 /nfs/dbraw/zinc/34/30/43/519343043.db2.gz LTBPJTOSMNHDHP-LRQRDZAKSA-N 2 2 353.466 2.579 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000580888999 519409557 /nfs/dbraw/zinc/40/95/57/519409557.db2.gz UMXCXOIVFMLFBD-IBGZPJMESA-N 2 2 351.450 2.635 20 30 FFEDLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000583810186 519445826 /nfs/dbraw/zinc/44/58/26/519445826.db2.gz ACSMFZCSKYYVHV-ZWKOTPCHSA-N 2 2 364.440 2.581 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609635674 520390726 /nfs/dbraw/zinc/39/07/26/520390726.db2.gz FNHMKJRJNQSNKZ-VQIMIIECSA-N 2 2 369.444 2.994 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609635674 520390733 /nfs/dbraw/zinc/39/07/33/520390733.db2.gz FNHMKJRJNQSNKZ-VQIMIIECSA-N 2 2 369.444 2.994 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000609671578 520400721 /nfs/dbraw/zinc/40/07/21/520400721.db2.gz IDACRISIWWCXQL-HXUWFJFHSA-N 2 2 354.498 2.673 20 30 FFEDLP CCC(CC)[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[NH+]1CCCC1 ZINC000600725757 520427360 /nfs/dbraw/zinc/42/73/60/520427360.db2.gz KBJUDLAINBSETN-MOPGFXCFSA-N 2 2 351.535 2.548 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000595507081 520517523 /nfs/dbraw/zinc/51/75/23/520517523.db2.gz JVTAZOOHXIJOSM-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000595507081 520517533 /nfs/dbraw/zinc/51/75/33/520517533.db2.gz JVTAZOOHXIJOSM-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000595507081 520517541 /nfs/dbraw/zinc/51/75/41/520517541.db2.gz JVTAZOOHXIJOSM-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000595507081 520517547 /nfs/dbraw/zinc/51/75/47/520517547.db2.gz JVTAZOOHXIJOSM-JOCHJYFZSA-N 2 2 368.525 2.968 20 30 FFEDLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(F)c3C#N)cc2)CC1 ZINC000602007823 521075692 /nfs/dbraw/zinc/07/56/92/521075692.db2.gz YUACLUYFQRSJDW-UHFFFAOYSA-N 2 2 352.457 2.735 20 30 FFEDLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(F)c3C#N)cc2)CC1 ZINC000602007823 521075700 /nfs/dbraw/zinc/07/57/00/521075700.db2.gz YUACLUYFQRSJDW-UHFFFAOYSA-N 2 2 352.457 2.735 20 30 FFEDLP C[C@H]([NH2+]C1(C[NH2+]Cc2cccc(C#N)n2)CCOCC1)c1ccccc1 ZINC000602557270 521410295 /nfs/dbraw/zinc/41/02/95/521410295.db2.gz YRCGDSVLZLVSKM-KRWDZBQOSA-N 2 2 350.466 2.943 20 30 FFEDLP C=CCOc1c(Cl)cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1OC ZINC000628117852 523350039 /nfs/dbraw/zinc/35/00/39/523350039.db2.gz XKXXPEOTPNJCJW-UHFFFAOYSA-N 2 2 368.905 2.802 20 30 FFEDLP C=CCOc1c(Cl)cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1OC ZINC000628117852 523350046 /nfs/dbraw/zinc/35/00/46/523350046.db2.gz XKXXPEOTPNJCJW-UHFFFAOYSA-N 2 2 368.905 2.802 20 30 FFEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000877313942 732343444 /nfs/dbraw/zinc/34/34/44/732343444.db2.gz LWQLPUMGDLHLRK-QGZVFWFLSA-N 2 2 358.873 2.674 20 30 FFEDLP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000897633037 735257882 /nfs/dbraw/zinc/25/78/82/735257882.db2.gz UVQRIXZHGDYGCM-UHFFFAOYSA-N 2 2 355.511 2.837 20 30 FFEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001104867828 971043072 /nfs/dbraw/zinc/04/30/72/971043072.db2.gz BYJLTDVJRDQLLK-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1C ZINC001105054070 971424968 /nfs/dbraw/zinc/42/49/68/971424968.db2.gz JCNYLCIWSGHDDA-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1C ZINC001105054070 971424973 /nfs/dbraw/zinc/42/49/73/971424973.db2.gz JCNYLCIWSGHDDA-IAGOWNOFSA-N 2 2 361.555 2.757 20 30 FFEDLP NC(=[NH+]OCC[NH+]1CCCCC1)c1ccc(OCc2cccnc2)cc1 ZINC000194388447 971865630 /nfs/dbraw/zinc/86/56/30/971865630.db2.gz YNXZGGBWMKZGJU-UHFFFAOYSA-N 2 2 354.454 2.783 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001088056073 972038396 /nfs/dbraw/zinc/03/83/96/972038396.db2.gz IADFFLRDISZBLU-MOPGFXCFSA-N 2 2 350.466 2.842 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2C1 ZINC001088056073 972038404 /nfs/dbraw/zinc/03/84/04/972038404.db2.gz IADFFLRDISZBLU-MOPGFXCFSA-N 2 2 350.466 2.842 20 30 FFEDLP C=C(C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2)C(F)(F)F ZINC001270008430 964537297 /nfs/dbraw/zinc/53/72/97/964537297.db2.gz SVRFCOULVICSIG-CVEARBPZSA-N 2 2 356.392 2.553 20 30 FFEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000104153809 965985980 /nfs/dbraw/zinc/98/59/80/965985980.db2.gz ASQQKXZPUWADSM-QGZVFWFLSA-N 2 2 354.454 2.877 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211645330 969919831 /nfs/dbraw/zinc/91/98/31/969919831.db2.gz YWYSSOKUJUZJAQ-VQTJNVASSA-N 2 2 352.482 2.824 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC001088158953 973239157 /nfs/dbraw/zinc/23/91/57/973239157.db2.gz UKSWNXRVVRGJLR-MOPGFXCFSA-N 2 2 350.466 2.842 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C[C@@H]2C1 ZINC001088158953 973239169 /nfs/dbraw/zinc/23/91/69/973239169.db2.gz UKSWNXRVVRGJLR-MOPGFXCFSA-N 2 2 350.466 2.842 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001075948987 975412929 /nfs/dbraw/zinc/41/29/29/975412929.db2.gz SXPMQPWQRUVSIE-LAUBAEHRSA-N 2 2 371.444 2.781 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)[C@@H]2C1 ZINC001075948987 975412932 /nfs/dbraw/zinc/41/29/32/975412932.db2.gz SXPMQPWQRUVSIE-LAUBAEHRSA-N 2 2 371.444 2.781 20 30 FFEDLP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268107487 976514931 /nfs/dbraw/zinc/51/49/31/976514931.db2.gz ZFIGIMAQWSNCMT-IPMKNSEASA-N 2 2 365.481 2.706 20 30 FFEDLP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268107487 976514946 /nfs/dbraw/zinc/51/49/46/976514946.db2.gz ZFIGIMAQWSNCMT-IPMKNSEASA-N 2 2 365.481 2.706 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990744510 976799189 /nfs/dbraw/zinc/79/91/89/976799189.db2.gz VBHNGDQQJSVYHD-YXTQBTIXSA-N 2 2 368.525 2.843 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990744510 976799197 /nfs/dbraw/zinc/79/91/97/976799197.db2.gz VBHNGDQQJSVYHD-YXTQBTIXSA-N 2 2 368.525 2.843 20 30 FFEDLP CC#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087456285 977806408 /nfs/dbraw/zinc/80/64/08/977806408.db2.gz NBNVIETYUVUWIG-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001087456285 977806418 /nfs/dbraw/zinc/80/64/18/977806418.db2.gz NBNVIETYUVUWIG-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001087456285 977806422 /nfs/dbraw/zinc/80/64/22/977806422.db2.gz NBNVIETYUVUWIG-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP CC#CC[NH+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001087456285 977806433 /nfs/dbraw/zinc/80/64/33/977806433.db2.gz NBNVIETYUVUWIG-NJDAHSKKSA-N 2 2 371.500 2.607 20 30 FFEDLP C=CC[C@@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000664236237 978412365 /nfs/dbraw/zinc/41/23/65/978412365.db2.gz ZDJNVZNSPMMZHU-LJQANCHMSA-N 2 2 362.562 2.934 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001107454931 984560692 /nfs/dbraw/zinc/56/06/92/984560692.db2.gz QXPZRHLSNBHSOI-YFVAEKQCSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC001107454931 984560694 /nfs/dbraw/zinc/56/06/94/984560694.db2.gz QXPZRHLSNBHSOI-YFVAEKQCSA-N 2 2 356.514 2.773 20 30 FFEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079188753 991900106 /nfs/dbraw/zinc/90/01/06/991900106.db2.gz OVFXDGKDUFKBKH-FXAWDEMLSA-N 2 2 362.408 2.533 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751630 992138330 /nfs/dbraw/zinc/13/83/30/992138330.db2.gz RSDRKYIPSZGJOP-GUDVDZBRSA-N 2 2 370.541 2.947 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000940751630 992138336 /nfs/dbraw/zinc/13/83/36/992138336.db2.gz RSDRKYIPSZGJOP-GUDVDZBRSA-N 2 2 370.541 2.947 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1c1ccccc1 ZINC001081135277 993693266 /nfs/dbraw/zinc/69/32/66/993693266.db2.gz OHBQCVQBTIUEDY-LVCYWYKZSA-N 2 2 364.493 2.593 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1c1ccccc1 ZINC001081135277 993693270 /nfs/dbraw/zinc/69/32/70/993693270.db2.gz OHBQCVQBTIUEDY-LVCYWYKZSA-N 2 2 364.493 2.593 20 30 FFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCOc2ccc3c(c2)OCO3)cc1 ZINC000747836994 995613352 /nfs/dbraw/zinc/61/33/52/995613352.db2.gz ILXCRODKMANMIZ-UHFFFAOYSA-N 2 2 371.437 2.583 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCC(F)(F)F ZINC001109414948 1000414986 /nfs/dbraw/zinc/41/49/86/1000414986.db2.gz UXEALETXUYUCEP-QZWWFDLISA-N 2 2 371.447 2.538 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC(F)(F)F ZINC001109414948 1000414990 /nfs/dbraw/zinc/41/49/90/1000414990.db2.gz UXEALETXUYUCEP-QZWWFDLISA-N 2 2 371.447 2.538 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCC(F)(F)F ZINC001109414948 1000414993 /nfs/dbraw/zinc/41/49/93/1000414993.db2.gz UXEALETXUYUCEP-QZWWFDLISA-N 2 2 371.447 2.538 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCCC(F)(F)F ZINC001109414948 1000414997 /nfs/dbraw/zinc/41/49/97/1000414997.db2.gz UXEALETXUYUCEP-QZWWFDLISA-N 2 2 371.447 2.538 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109472953 1000530399 /nfs/dbraw/zinc/53/03/99/1000530399.db2.gz OTXNXRWUSLFIPZ-AYBZRNKSSA-N 2 2 360.502 2.818 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001109472953 1000530405 /nfs/dbraw/zinc/53/04/05/1000530405.db2.gz OTXNXRWUSLFIPZ-AYBZRNKSSA-N 2 2 360.502 2.818 20 30 FFEDLP Cc1[nH+]ccn1-c1cncc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171275225 1000645614 /nfs/dbraw/zinc/64/56/14/1000645614.db2.gz QBGGJNNKVWRGTN-UHFFFAOYSA-N 2 2 373.464 2.941 20 30 FFEDLP C=CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000771767194 1001207402 /nfs/dbraw/zinc/20/74/02/1001207402.db2.gz WQHXIGAAZCCENG-WOJBJXKFSA-N 2 2 371.529 2.509 20 30 FFEDLP C=CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccncc1 ZINC000771767194 1001207411 /nfs/dbraw/zinc/20/74/11/1001207411.db2.gz WQHXIGAAZCCENG-WOJBJXKFSA-N 2 2 371.529 2.509 20 30 FFEDLP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001086944111 1001334182 /nfs/dbraw/zinc/33/41/82/1001334182.db2.gz PHGQELHEBICWOC-KZNAEPCWSA-N 2 2 356.514 2.803 20 30 FFEDLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183838402 1002405170 /nfs/dbraw/zinc/40/51/70/1002405170.db2.gz GUMBXPMUGUOVBW-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183838402 1002405178 /nfs/dbraw/zinc/40/51/78/1002405178.db2.gz GUMBXPMUGUOVBW-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C[NH+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183838402 1002405186 /nfs/dbraw/zinc/40/51/86/1002405186.db2.gz GUMBXPMUGUOVBW-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C[NH+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183838402 1002405193 /nfs/dbraw/zinc/40/51/93/1002405193.db2.gz GUMBXPMUGUOVBW-GHTZIAJQSA-N 2 2 368.525 2.761 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1c1ccccc1 ZINC001086593180 1002549243 /nfs/dbraw/zinc/54/92/43/1002549243.db2.gz HEWNBQHOYKXPNZ-BDTNDASRSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1c1ccccc1 ZINC001086593180 1002549254 /nfs/dbraw/zinc/54/92/54/1002549254.db2.gz HEWNBQHOYKXPNZ-BDTNDASRSA-N 2 2 365.521 2.634 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@H]1c1ccccc1 ZINC001086593180 1002549264 /nfs/dbraw/zinc/54/92/64/1002549264.db2.gz HEWNBQHOYKXPNZ-BDTNDASRSA-N 2 2 365.521 2.634 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086595772 1002604636 /nfs/dbraw/zinc/60/46/36/1002604636.db2.gz SNQQLOGFHLBAAU-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086595772 1002604644 /nfs/dbraw/zinc/60/46/44/1002604644.db2.gz SNQQLOGFHLBAAU-SLFFLAALSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001086605916 1002957699 /nfs/dbraw/zinc/95/76/99/1002957699.db2.gz BOAZPONFGRPUTN-RBUKOAKNSA-N 2 2 353.466 2.725 20 30 FFEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001086605916 1002957708 /nfs/dbraw/zinc/95/77/08/1002957708.db2.gz BOAZPONFGRPUTN-RBUKOAKNSA-N 2 2 353.466 2.725 20 30 FFEDLP C#C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001198524563 1004647273 /nfs/dbraw/zinc/64/72/73/1004647273.db2.gz GTHWVCYBXAPUMW-LJQANCHMSA-N 2 2 357.523 2.662 20 30 FFEDLP C#C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001198524563 1004647276 /nfs/dbraw/zinc/64/72/76/1004647276.db2.gz GTHWVCYBXAPUMW-LJQANCHMSA-N 2 2 357.523 2.662 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001097064282 1016965297 /nfs/dbraw/zinc/96/52/97/1016965297.db2.gz FSXPKSMWVYHWKP-CZYKHXBRSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001097064282 1016965307 /nfs/dbraw/zinc/96/53/07/1016965307.db2.gz FSXPKSMWVYHWKP-CZYKHXBRSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097064282 1016965319 /nfs/dbraw/zinc/96/53/19/1016965319.db2.gz FSXPKSMWVYHWKP-CZYKHXBRSA-N 2 2 365.521 2.632 20 30 FFEDLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097064282 1016965329 /nfs/dbraw/zinc/96/53/29/1016965329.db2.gz FSXPKSMWVYHWKP-CZYKHXBRSA-N 2 2 365.521 2.632 20 30 FFEDLP C=CCCn1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)nn1 ZINC000850159664 1005792108 /nfs/dbraw/zinc/79/21/08/1005792108.db2.gz JIWJMJIDIFMGPF-UHFFFAOYSA-N 2 2 354.502 2.679 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883342119 1006757119 /nfs/dbraw/zinc/75/71/19/1006757119.db2.gz LBUMRKXDFVIVMP-HXUWFJFHSA-N 2 2 367.497 2.964 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001189762996 1007257466 /nfs/dbraw/zinc/25/74/66/1007257466.db2.gz HJSBOVDRIMKJGO-ABSDTBQOSA-N 2 2 365.481 2.768 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)[C@@H]2C1 ZINC001189762996 1007257477 /nfs/dbraw/zinc/25/74/77/1007257477.db2.gz HJSBOVDRIMKJGO-ABSDTBQOSA-N 2 2 365.481 2.768 20 30 FFEDLP C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)O2)CO1 ZINC000886330622 1008639857 /nfs/dbraw/zinc/63/98/57/1008639857.db2.gz VBPUSMKHQBAERK-VOQZNFBZSA-N 2 2 369.509 2.839 20 30 FFEDLP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001093379595 1010235844 /nfs/dbraw/zinc/23/58/44/1010235844.db2.gz CZPYNFCMBRTCOK-QWFCFKBJSA-N 2 2 368.525 2.803 20 30 FFEDLP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001093379595 1010235854 /nfs/dbraw/zinc/23/58/54/1010235854.db2.gz CZPYNFCMBRTCOK-QWFCFKBJSA-N 2 2 368.525 2.803 20 30 FFEDLP CCC[N@@H+]1CCC[C@H]1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000794711880 1010564565 /nfs/dbraw/zinc/56/45/65/1010564565.db2.gz FMQBTZRNJXWNCI-HNNXBMFYSA-N 2 2 367.497 2.521 20 30 FFEDLP CCC[N@H+]1CCC[C@H]1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000794711880 1010564575 /nfs/dbraw/zinc/56/45/75/1010564575.db2.gz FMQBTZRNJXWNCI-HNNXBMFYSA-N 2 2 367.497 2.521 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C)sc1C ZINC001097249094 1017269656 /nfs/dbraw/zinc/26/96/56/1017269656.db2.gz LWGUELGVYYQEDA-ZRNYENFQSA-N 2 2 371.550 2.684 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C)sc1C ZINC001097249094 1017269663 /nfs/dbraw/zinc/26/96/63/1017269663.db2.gz LWGUELGVYYQEDA-ZRNYENFQSA-N 2 2 371.550 2.684 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)sc1C ZINC001097249094 1017269669 /nfs/dbraw/zinc/26/96/69/1017269669.db2.gz LWGUELGVYYQEDA-ZRNYENFQSA-N 2 2 371.550 2.684 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1cc(C)sc1C ZINC001097249094 1017269672 /nfs/dbraw/zinc/26/96/72/1017269672.db2.gz LWGUELGVYYQEDA-ZRNYENFQSA-N 2 2 371.550 2.684 20 30 FFEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001052387954 1017387646 /nfs/dbraw/zinc/38/76/46/1017387646.db2.gz YCCOLQHVQVOGOQ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001052387954 1017387651 /nfs/dbraw/zinc/38/76/51/1017387651.db2.gz YCCOLQHVQVOGOQ-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@]3(C(F)(F)F)CCCN3)CC2)cc1 ZINC000925851668 1017874661 /nfs/dbraw/zinc/87/46/61/1017874661.db2.gz CCAZMXJFUIUTOI-GOSISDBHSA-N 2 2 366.431 2.797 20 30 FFEDLP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001072746357 1020296730 /nfs/dbraw/zinc/29/67/30/1020296730.db2.gz JMDHJANQVDMCOF-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001072746357 1020296734 /nfs/dbraw/zinc/29/67/34/1020296734.db2.gz JMDHJANQVDMCOF-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001046327663 1020590830 /nfs/dbraw/zinc/59/08/30/1020590830.db2.gz ORDGVBITLYOLTB-OPYAIIAOSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001046327663 1020590834 /nfs/dbraw/zinc/59/08/34/1020590834.db2.gz ORDGVBITLYOLTB-OPYAIIAOSA-N 2 2 356.514 2.701 20 30 FFEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001098461665 1020929254 /nfs/dbraw/zinc/92/92/54/1020929254.db2.gz KGEGATVRUYDJEX-CZYKHXBRSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001098461665 1020929260 /nfs/dbraw/zinc/92/92/60/1020929260.db2.gz KGEGATVRUYDJEX-CZYKHXBRSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001098461665 1020929265 /nfs/dbraw/zinc/92/92/65/1020929265.db2.gz KGEGATVRUYDJEX-CZYKHXBRSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001098461665 1020929271 /nfs/dbraw/zinc/92/92/71/1020929271.db2.gz KGEGATVRUYDJEX-CZYKHXBRSA-N 2 2 365.521 2.634 20 30 FFEDLP C[C@@H]([NH2+]C1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCOCC1)c1ccccc1 ZINC001120492888 1023340321 /nfs/dbraw/zinc/34/03/21/1023340321.db2.gz RHLXGEDVEBKBMX-IEBWSBKVSA-N 2 2 359.514 2.777 20 30 FFEDLP CC[C@@](O)(C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C(F)(F)F ZINC001120589881 1023373991 /nfs/dbraw/zinc/37/39/91/1023373991.db2.gz JSIKQNNYZGXOPF-QGZVFWFLSA-N 2 2 355.404 2.816 20 30 FFEDLP CC[N@H+](CCC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1)CC1CC1 ZINC000758250786 1023996367 /nfs/dbraw/zinc/99/63/67/1023996367.db2.gz ZTFHIRFBIAHRDR-UHFFFAOYSA-N 2 2 356.514 2.820 20 30 FFEDLP CC[N@@H+](CCC1CC[NH+](Cn2ccc(C)c(C#N)c2=O)CC1)CC1CC1 ZINC000758250786 1023996381 /nfs/dbraw/zinc/99/63/81/1023996381.db2.gz ZTFHIRFBIAHRDR-UHFFFAOYSA-N 2 2 356.514 2.820 20 30 FFEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000093079008 1027596416 /nfs/dbraw/zinc/59/64/16/1027596416.db2.gz UDOYADSJNIXOQS-MRXNPFEDSA-N 2 2 352.438 2.703 20 30 FFEDLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)[C@H]1CCC[NH2+]C1 ZINC001161340674 1028137924 /nfs/dbraw/zinc/13/79/24/1028137924.db2.gz SEFDGBVVKFTDBF-PMACEKPBSA-N 2 2 354.498 2.513 20 30 FFEDLP CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)[C@H]1CCC[NH2+]C1 ZINC001161340674 1028137930 /nfs/dbraw/zinc/13/79/30/1028137930.db2.gz SEFDGBVVKFTDBF-PMACEKPBSA-N 2 2 354.498 2.513 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760230 1028150290 /nfs/dbraw/zinc/15/02/90/1028150290.db2.gz DCEIYMACZFBABD-RLLQIKCJSA-N 2 2 358.530 2.725 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760230 1028150296 /nfs/dbraw/zinc/15/02/96/1028150296.db2.gz DCEIYMACZFBABD-RLLQIKCJSA-N 2 2 358.530 2.725 20 30 FFEDLP C[NH+]1CCN(c2ccc(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)nc2)CC1 ZINC001163685731 1029024911 /nfs/dbraw/zinc/02/49/11/1029024911.db2.gz SAKWMBXLTQCITK-UHFFFAOYSA-N 2 2 363.387 2.889 20 30 FFEDLP N#Cc1ccc(-c2cccs2)nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158268238 1029780400 /nfs/dbraw/zinc/78/04/00/1029780400.db2.gz JVCRSJCFTWMYEC-HNNXBMFYSA-N 2 2 353.495 2.684 20 30 FFEDLP N#Cc1ccc(-c2cccs2)nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158268238 1029780408 /nfs/dbraw/zinc/78/04/08/1029780408.db2.gz JVCRSJCFTWMYEC-HNNXBMFYSA-N 2 2 353.495 2.684 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112193130 1030200650 /nfs/dbraw/zinc/20/06/50/1030200650.db2.gz LYMKZZNEMVTQMW-CHWSQXEVSA-N 2 2 358.408 2.632 20 30 FFEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001166161278 1030282312 /nfs/dbraw/zinc/28/23/12/1030282312.db2.gz YGHMRSFPRVCDDJ-UHFFFAOYSA-N 2 2 363.505 2.700 20 30 FFEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001166161278 1030282329 /nfs/dbraw/zinc/28/23/29/1030282329.db2.gz YGHMRSFPRVCDDJ-UHFFFAOYSA-N 2 2 363.505 2.700 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001112439393 1030813934 /nfs/dbraw/zinc/81/39/34/1030813934.db2.gz XQFZQMCEWCATCT-WFXMLNOXSA-N 2 2 356.514 2.630 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cccc(F)c1 ZINC001205404714 1031716301 /nfs/dbraw/zinc/71/63/01/1031716301.db2.gz ZKSSFXBAWHXLLN-ZWKOTPCHSA-N 2 2 356.445 2.642 20 30 FFEDLP N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc2c[nH+]cn21 ZINC001277038112 1034226259 /nfs/dbraw/zinc/22/62/59/1034226259.db2.gz HHSHBSRXXHRCEV-HXUWFJFHSA-N 2 2 351.454 2.595 20 30 FFEDLP N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc2c[nH+]cn21 ZINC001277038112 1034226275 /nfs/dbraw/zinc/22/62/75/1034226275.db2.gz HHSHBSRXXHRCEV-HXUWFJFHSA-N 2 2 351.454 2.595 20 30 FFEDLP C=C(C)COc1ccccc1C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001138662464 1034520593 /nfs/dbraw/zinc/52/05/93/1034520593.db2.gz YVEKAHYDKPBNOK-UHFFFAOYSA-N 2 2 371.525 2.818 20 30 FFEDLP C=C(C)COc1ccccc1C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001138662464 1034520601 /nfs/dbraw/zinc/52/06/01/1034520601.db2.gz YVEKAHYDKPBNOK-UHFFFAOYSA-N 2 2 371.525 2.818 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnc(OCC)c(C)c2)CC1 ZINC001232312322 1035576412 /nfs/dbraw/zinc/57/64/12/1035576412.db2.gz UPQRZLLXVBLCDE-UHFFFAOYSA-N 2 2 358.530 2.580 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCn2cc[nH+]c2)cc1F ZINC001227839976 1035766940 /nfs/dbraw/zinc/76/69/40/1035766940.db2.gz RAVKTGBXVTVQGB-RTBURBONSA-N 2 2 369.444 2.501 20 30 FFEDLP N#Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839770 1035768492 /nfs/dbraw/zinc/76/84/92/1035768492.db2.gz HBWHLMODWRUZEL-RTBURBONSA-N 2 2 369.444 2.501 20 30 FFEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001277904689 1037226464 /nfs/dbraw/zinc/22/64/64/1037226464.db2.gz CEQNOOZFYVIBCB-RTBURBONSA-N 2 2 368.868 2.724 20 30 FFEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001277904689 1037226476 /nfs/dbraw/zinc/22/64/76/1037226476.db2.gz CEQNOOZFYVIBCB-RTBURBONSA-N 2 2 368.868 2.724 20 30 FFEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](CC)CC ZINC001208575663 1038422421 /nfs/dbraw/zinc/42/24/21/1038422421.db2.gz SKGXIBGOIUWICP-NSISKUIASA-N 2 2 356.514 2.615 20 30 FFEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+](CC)CC ZINC001208575663 1038422428 /nfs/dbraw/zinc/42/24/28/1038422428.db2.gz SKGXIBGOIUWICP-NSISKUIASA-N 2 2 356.514 2.615 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc1C#N ZINC001278463805 1039453973 /nfs/dbraw/zinc/45/39/73/1039453973.db2.gz FRGLGECBGZLWIF-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc1C#N ZINC001278463805 1039453977 /nfs/dbraw/zinc/45/39/77/1039453977.db2.gz FRGLGECBGZLWIF-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1C#N ZINC001278463805 1039453989 /nfs/dbraw/zinc/45/39/89/1039453989.db2.gz FRGLGECBGZLWIF-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1C#N ZINC001278463805 1039454008 /nfs/dbraw/zinc/45/40/08/1039454008.db2.gz FRGLGECBGZLWIF-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C[C@@H]4CCOC4)C3)C2)cc1C#N ZINC001278463968 1039458053 /nfs/dbraw/zinc/45/80/53/1039458053.db2.gz ONCLYNBHWJBRAN-RXVVDRJESA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C[C@@H]4CCOC4)C3)C2)cc1C#N ZINC001278463968 1039458060 /nfs/dbraw/zinc/45/80/60/1039458060.db2.gz ONCLYNBHWJBRAN-RXVVDRJESA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C[C@@H]4CCOC4)C3)C2)cc1C#N ZINC001278463968 1039458072 /nfs/dbraw/zinc/45/80/72/1039458072.db2.gz ONCLYNBHWJBRAN-RXVVDRJESA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C[C@@H]4CCOC4)C3)C2)cc1C#N ZINC001278463968 1039458081 /nfs/dbraw/zinc/45/80/81/1039458081.db2.gz ONCLYNBHWJBRAN-RXVVDRJESA-N 2 2 356.514 2.611 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500106 1040614144 /nfs/dbraw/zinc/61/41/44/1040614144.db2.gz MIIINIXEAGJEIU-KZNAEPCWSA-N 2 2 350.507 2.620 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500106 1040614151 /nfs/dbraw/zinc/61/41/51/1040614151.db2.gz MIIINIXEAGJEIU-KZNAEPCWSA-N 2 2 350.507 2.620 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001264445666 1042674058 /nfs/dbraw/zinc/67/40/58/1042674058.db2.gz QBLWLJUPDMAKKI-VQTJNVASSA-N 2 2 366.509 2.903 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001264445666 1042674062 /nfs/dbraw/zinc/67/40/62/1042674062.db2.gz QBLWLJUPDMAKKI-VQTJNVASSA-N 2 2 366.509 2.903 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CCCC(C)C)CC1 ZINC001278185195 1043521284 /nfs/dbraw/zinc/52/12/84/1043521284.db2.gz ZNQVHNIOFCRCEZ-WOJBJXKFSA-N 2 2 370.541 2.886 20 30 FFEDLP C[C@@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320457301 1045411586 /nfs/dbraw/zinc/41/15/86/1045411586.db2.gz XSXVNJWGMNQIQW-BMGDILEWSA-N 2 2 370.884 2.703 20 30 FFEDLP C[C@@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320457301 1045411591 /nfs/dbraw/zinc/41/15/91/1045411591.db2.gz XSXVNJWGMNQIQW-BMGDILEWSA-N 2 2 370.884 2.703 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001324498709 1046065668 /nfs/dbraw/zinc/06/56/68/1046065668.db2.gz WSQFUDUMCLELCD-BZUAXINKSA-N 2 2 350.894 2.541 20 30 FFEDLP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1CC ZINC001325365152 1046485014 /nfs/dbraw/zinc/48/50/14/1046485014.db2.gz HCIIODZIJGAFBE-VAMGGRTRSA-N 2 2 364.493 2.556 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001342225562 1050816253 /nfs/dbraw/zinc/81/62/53/1050816253.db2.gz QMMYDGYFHYGOND-BZSNNMDCSA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001342225562 1050816262 /nfs/dbraw/zinc/81/62/62/1050816262.db2.gz QMMYDGYFHYGOND-BZSNNMDCSA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001342225562 1050816275 /nfs/dbraw/zinc/81/62/75/1050816275.db2.gz QMMYDGYFHYGOND-BZSNNMDCSA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001342225562 1050816285 /nfs/dbraw/zinc/81/62/85/1050816285.db2.gz QMMYDGYFHYGOND-BZSNNMDCSA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001346188158 1052781819 /nfs/dbraw/zinc/78/18/19/1052781819.db2.gz ROOBZTGHQHCARO-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001346188158 1052781822 /nfs/dbraw/zinc/78/18/22/1052781822.db2.gz ROOBZTGHQHCARO-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001339528082 1056550502 /nfs/dbraw/zinc/55/05/02/1056550502.db2.gz BREFYLMPKYOORS-ROUUACIJSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001339528082 1056550511 /nfs/dbraw/zinc/55/05/11/1056550511.db2.gz BREFYLMPKYOORS-ROUUACIJSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001355930549 1060739260 /nfs/dbraw/zinc/73/92/60/1060739260.db2.gz YURSMPYOCJEISN-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001355930549 1060739274 /nfs/dbraw/zinc/73/92/74/1060739274.db2.gz YURSMPYOCJEISN-SFHVURJKSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001355966833 1060769129 /nfs/dbraw/zinc/76/91/29/1060769129.db2.gz CTZPLCFWNZKOSK-UHFFFAOYSA-N 2 2 372.561 2.905 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001355966833 1060769145 /nfs/dbraw/zinc/76/91/45/1060769145.db2.gz CTZPLCFWNZKOSK-UHFFFAOYSA-N 2 2 372.561 2.905 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001355966745 1060769294 /nfs/dbraw/zinc/76/92/94/1060769294.db2.gz AXDGYIVCXKMHBO-UHFFFAOYSA-N 2 2 372.561 2.905 20 30 FFEDLP C#CC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001460760860 1061092793 /nfs/dbraw/zinc/09/27/93/1061092793.db2.gz RTMPZQLBXOXLGX-FQEVSTJZSA-N 2 2 367.537 2.799 20 30 FFEDLP C#CC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)C1 ZINC001460760860 1061092804 /nfs/dbraw/zinc/09/28/04/1061092804.db2.gz RTMPZQLBXOXLGX-FQEVSTJZSA-N 2 2 367.537 2.799 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001523796553 1062629322 /nfs/dbraw/zinc/62/93/22/1062629322.db2.gz LHMXXNVQIRSPCE-SFHVURJKSA-N 2 2 358.534 2.515 20 30 FFEDLP C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001479645526 1062712442 /nfs/dbraw/zinc/71/24/42/1062712442.db2.gz QVXLOCFBGFRGMA-LSDHHAIUSA-N 2 2 360.340 2.596 20 30 FFEDLP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001479645526 1062712458 /nfs/dbraw/zinc/71/24/58/1062712458.db2.gz QVXLOCFBGFRGMA-LSDHHAIUSA-N 2 2 360.340 2.596 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001523992153 1062681969 /nfs/dbraw/zinc/68/19/69/1062681969.db2.gz PDRCBVVSVVMOAX-RBUKOAKNSA-N 2 2 372.561 2.933 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001523992153 1062681977 /nfs/dbraw/zinc/68/19/77/1062681977.db2.gz PDRCBVVSVVMOAX-RBUKOAKNSA-N 2 2 372.561 2.933 20 30 FFEDLP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001565883072 1076776975 /nfs/dbraw/zinc/77/69/75/1076776975.db2.gz WYBFBILTOCNMLN-YZGWKJHDSA-N 2 2 364.493 2.614 20 30 FFEDLP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001565883072 1076776979 /nfs/dbraw/zinc/77/69/79/1076776979.db2.gz WYBFBILTOCNMLN-YZGWKJHDSA-N 2 2 364.493 2.614 20 30 FFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1OCC ZINC001565949785 1076807408 /nfs/dbraw/zinc/80/74/08/1076807408.db2.gz SUMZLJGDPLPLIX-YQVWRLOYSA-N 2 2 370.497 2.756 20 30 FFEDLP N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017386 508114704 /nfs/dbraw/zinc/11/47/04/508114704.db2.gz HUZHWIUSAOJARN-HXUWFJFHSA-N 2 2 357.498 2.913 20 30 FFEDLP N#CCCCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017386 508114708 /nfs/dbraw/zinc/11/47/08/508114708.db2.gz HUZHWIUSAOJARN-HXUWFJFHSA-N 2 2 357.498 2.913 20 30 FFEDLP C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156487384 508428075 /nfs/dbraw/zinc/42/80/75/508428075.db2.gz QXBLQGHRBSVULG-GUYCJALGSA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156487384 508428077 /nfs/dbraw/zinc/42/80/77/508428077.db2.gz QXBLQGHRBSVULG-GUYCJALGSA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139877862 508795958 /nfs/dbraw/zinc/79/59/58/508795958.db2.gz BTIGBIDKNFPKEQ-DDUZABMNSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139877862 508795960 /nfs/dbraw/zinc/79/59/60/508795960.db2.gz BTIGBIDKNFPKEQ-DDUZABMNSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139877862 508795963 /nfs/dbraw/zinc/79/59/63/508795963.db2.gz BTIGBIDKNFPKEQ-DDUZABMNSA-N 2 2 360.889 2.955 20 30 FFEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139877862 508795967 /nfs/dbraw/zinc/79/59/67/508795967.db2.gz BTIGBIDKNFPKEQ-DDUZABMNSA-N 2 2 360.889 2.955 20 30 FFEDLP C[NH+](C)[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000144048885 508835819 /nfs/dbraw/zinc/83/58/19/508835819.db2.gz LJBZWFZWAHGFQD-NRFANRHFSA-N 2 2 362.477 2.505 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000120753859 509058852 /nfs/dbraw/zinc/05/88/52/509058852.db2.gz OZEJCAAQYSQDLJ-ROUUACIJSA-N 2 2 356.514 2.557 20 30 FFEDLP COc1ccc(CNC(=[NH2+])NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000264070811 509314822 /nfs/dbraw/zinc/31/48/22/509314822.db2.gz GAJNYAXQEJEMDJ-KRWDZBQOSA-N 2 2 374.460 2.550 20 30 FFEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1OC ZINC000264073700 509316683 /nfs/dbraw/zinc/31/66/83/509316683.db2.gz DZEJPNXYYJYEQQ-MRXNPFEDSA-N 2 2 360.433 2.872 20 30 FFEDLP CC[NH+]=C(NCCc1c(C)noc1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261985148 510138018 /nfs/dbraw/zinc/13/80/18/510138018.db2.gz PWFYSOSFOUFKQL-RDTXWAMCSA-N 2 2 358.490 2.579 20 30 FFEDLP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000171689704 510309825 /nfs/dbraw/zinc/30/98/25/510309825.db2.gz FCFSJYJEYWHDOS-UHFFFAOYSA-N 2 2 360.527 2.899 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccnc(-n4cccn4)c3)CC2)cc1 ZINC000181468638 510427879 /nfs/dbraw/zinc/42/78/79/510427879.db2.gz UPJMKPSUROCLRY-UHFFFAOYSA-N 2 2 372.476 2.893 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509945 510529304 /nfs/dbraw/zinc/52/93/04/510529304.db2.gz IFDOMAOLJDQVKB-OXFYSEKESA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246509945 510529311 /nfs/dbraw/zinc/52/93/11/510529311.db2.gz IFDOMAOLJDQVKB-OXFYSEKESA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246509945 510529315 /nfs/dbraw/zinc/52/93/15/510529315.db2.gz IFDOMAOLJDQVKB-OXFYSEKESA-N 2 2 352.482 2.834 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246509945 510529323 /nfs/dbraw/zinc/52/93/23/510529323.db2.gz IFDOMAOLJDQVKB-OXFYSEKESA-N 2 2 352.482 2.834 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000270127669 510686018 /nfs/dbraw/zinc/68/60/18/510686018.db2.gz GQKOURGBCBAIAP-UWJYYQICSA-N 2 2 367.497 2.864 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000270127669 510686024 /nfs/dbraw/zinc/68/60/24/510686024.db2.gz GQKOURGBCBAIAP-UWJYYQICSA-N 2 2 367.497 2.864 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188323710 510708890 /nfs/dbraw/zinc/70/88/90/510708890.db2.gz SIHBTJCEVUSGMR-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188323710 510708898 /nfs/dbraw/zinc/70/88/98/510708898.db2.gz SIHBTJCEVUSGMR-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(C#N)cc1F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188323710 510708905 /nfs/dbraw/zinc/70/89/05/510708905.db2.gz SIHBTJCEVUSGMR-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(C#N)cc1F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188323710 510708912 /nfs/dbraw/zinc/70/89/12/510708912.db2.gz SIHBTJCEVUSGMR-NRFANRHFSA-N 2 2 353.441 2.766 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247013289 510798969 /nfs/dbraw/zinc/79/89/69/510798969.db2.gz QLCYZEUOXDPRRW-ROUUACIJSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247013289 510798976 /nfs/dbraw/zinc/79/89/76/510798976.db2.gz QLCYZEUOXDPRRW-ROUUACIJSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247013289 510798979 /nfs/dbraw/zinc/79/89/79/510798979.db2.gz QLCYZEUOXDPRRW-ROUUACIJSA-N 2 2 372.513 2.604 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247013289 510798984 /nfs/dbraw/zinc/79/89/84/510798984.db2.gz QLCYZEUOXDPRRW-ROUUACIJSA-N 2 2 372.513 2.604 20 30 FFEDLP Cc1nccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000330153225 510925710 /nfs/dbraw/zinc/92/57/10/510925710.db2.gz MOMLNDSTIRXSCG-ZWKOTPCHSA-N 2 2 374.533 2.600 20 30 FFEDLP Cc1nccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000330153225 510925713 /nfs/dbraw/zinc/92/57/13/510925713.db2.gz MOMLNDSTIRXSCG-ZWKOTPCHSA-N 2 2 374.533 2.600 20 30 FFEDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000330177897 510931432 /nfs/dbraw/zinc/93/14/32/510931432.db2.gz DHTLHCVCIIIALG-ARFHVFGLSA-N 2 2 361.534 2.872 20 30 FFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279449862 511086735 /nfs/dbraw/zinc/08/67/35/511086735.db2.gz SNZFMGBMTBZSNA-UXHICEINSA-N 2 2 364.497 2.917 20 30 FFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279449862 511086740 /nfs/dbraw/zinc/08/67/40/511086740.db2.gz SNZFMGBMTBZSNA-UXHICEINSA-N 2 2 364.497 2.917 20 30 FFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279449862 511086742 /nfs/dbraw/zinc/08/67/42/511086742.db2.gz SNZFMGBMTBZSNA-UXHICEINSA-N 2 2 364.497 2.917 20 30 FFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279449862 511086747 /nfs/dbraw/zinc/08/67/47/511086747.db2.gz SNZFMGBMTBZSNA-UXHICEINSA-N 2 2 364.497 2.917 20 30 FFEDLP C#CCC[NH+]1CCN(c2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)CC1 ZINC000301996615 511704418 /nfs/dbraw/zinc/70/44/18/511704418.db2.gz TZQVZNAQZULSTH-UHFFFAOYSA-N 2 2 351.450 2.865 20 30 FFEDLP CC(C)[NH+]1CCC([NH+]2CCN([C@H](C)C(=O)Nc3nccs3)CC2)CC1 ZINC000328601322 511890582 /nfs/dbraw/zinc/89/05/82/511890582.db2.gz FGMHHHNPTDBITF-OAHLLOKOSA-N 2 2 365.547 2.610 20 30 FFEDLP C[NH+]1CCC([C@H]2CCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)C2)CC1 ZINC000328774128 511929846 /nfs/dbraw/zinc/92/98/46/511929846.db2.gz KERFKIPPMDTRGU-IBGZPJMESA-N 2 2 367.497 2.950 20 30 FFEDLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000328835194 511938489 /nfs/dbraw/zinc/93/84/89/511938489.db2.gz MEXWZQOJFUJHBZ-NEFAXPCMSA-N 2 2 371.529 2.856 20 30 FFEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000364231646 512033892 /nfs/dbraw/zinc/03/38/92/512033892.db2.gz OKRFGNSWZKRCAI-IBGZPJMESA-N 2 2 365.443 2.769 20 30 FFEDLP C[N@H+]1CCC[C@H](N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000364231646 512033896 /nfs/dbraw/zinc/03/38/96/512033896.db2.gz OKRFGNSWZKRCAI-IBGZPJMESA-N 2 2 365.443 2.769 20 30 FFEDLP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000329406283 512040954 /nfs/dbraw/zinc/04/09/54/512040954.db2.gz XGALGPHGYJOYIK-HNNXBMFYSA-N 2 2 354.454 2.690 20 30 FFEDLP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329423408 512043604 /nfs/dbraw/zinc/04/36/04/512043604.db2.gz GCGVTHCXPKIIEO-MRXNPFEDSA-N 2 2 368.481 2.559 20 30 FFEDLP N#Cc1ccc2ncc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000370040263 512739823 /nfs/dbraw/zinc/73/98/23/512739823.db2.gz JDYCERKXQGJINV-BGYRXZFFSA-N 2 2 357.461 2.770 20 30 FFEDLP N#Cc1ccc2ncc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000370040263 512739824 /nfs/dbraw/zinc/73/98/24/512739824.db2.gz JDYCERKXQGJINV-BGYRXZFFSA-N 2 2 357.461 2.770 20 30 FFEDLP N#Cc1ccc2ncc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000370040263 512739825 /nfs/dbraw/zinc/73/98/25/512739825.db2.gz JDYCERKXQGJINV-BGYRXZFFSA-N 2 2 357.461 2.770 20 30 FFEDLP N#Cc1ccc2ncc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000370040263 512739826 /nfs/dbraw/zinc/73/98/26/512739826.db2.gz JDYCERKXQGJINV-BGYRXZFFSA-N 2 2 357.461 2.770 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374614402 512916804 /nfs/dbraw/zinc/91/68/04/512916804.db2.gz VCSQTONBLUZYLK-WBTXTPOCSA-N 2 2 360.546 2.866 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374614402 512916807 /nfs/dbraw/zinc/91/68/07/512916807.db2.gz VCSQTONBLUZYLK-WBTXTPOCSA-N 2 2 360.546 2.866 20 30 FFEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1(O)CCOCC1 ZINC000417385007 514325007 /nfs/dbraw/zinc/32/50/07/514325007.db2.gz QXBROMIMNJFEOM-UHFFFAOYSA-N 2 2 371.525 2.680 20 30 FFEDLP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[NH2+]C2)cc1OC ZINC000414863225 514329466 /nfs/dbraw/zinc/32/94/66/514329466.db2.gz ICPJTKUFQICIPB-ZDUSSCGKSA-N 2 2 355.276 2.864 20 30 FFEDLP C=CCOCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000470721853 514586101 /nfs/dbraw/zinc/58/61/01/514586101.db2.gz FJAPEVYOAAFUJA-HXUWFJFHSA-N 2 2 358.530 2.508 20 30 FFEDLP C=CCOCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000470721853 514586104 /nfs/dbraw/zinc/58/61/04/514586104.db2.gz FJAPEVYOAAFUJA-HXUWFJFHSA-N 2 2 358.530 2.508 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+](Cc2ccco2)CC1)C(C)C ZINC000503431764 515032208 /nfs/dbraw/zinc/03/22/08/515032208.db2.gz GETFAJJUGFOKLD-FQEVSTJZSA-N 2 2 374.529 2.805 20 30 FFEDLP C=C(C)CCSc1nnc([C@@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000505481712 515547630 /nfs/dbraw/zinc/54/76/30/515547630.db2.gz TVHPSTSHZWCYRR-MRXNPFEDSA-N 2 2 367.563 2.681 20 30 FFEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000528517100 516497292 /nfs/dbraw/zinc/49/72/92/516497292.db2.gz HEGULJJVNQLFIT-OAQYLSRUSA-N 2 2 365.477 2.552 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000536068215 516615071 /nfs/dbraw/zinc/61/50/71/516615071.db2.gz WPILWUQUQSUTRR-MRXNPFEDSA-N 2 2 361.449 2.961 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000536068215 516615079 /nfs/dbraw/zinc/61/50/79/516615079.db2.gz WPILWUQUQSUTRR-MRXNPFEDSA-N 2 2 361.449 2.961 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccc(C#N)cc2F)CC1)Cc1ccccc1 ZINC000513462354 516635051 /nfs/dbraw/zinc/63/50/51/516635051.db2.gz UZMONYPWSNXCLP-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccc(C#N)cc2F)CC1)Cc1ccccc1 ZINC000513462354 516635056 /nfs/dbraw/zinc/63/50/56/516635056.db2.gz UZMONYPWSNXCLP-UHFFFAOYSA-N 2 2 366.484 2.947 20 30 FFEDLP C(#CC[N@H+]1CCC[C@H](OCC2CC2)C1)C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000551736210 516849180 /nfs/dbraw/zinc/84/91/80/516849180.db2.gz YBCWLDZHGGUTRG-SZPZYZBQSA-N 2 2 360.542 2.772 20 30 FFEDLP C(#CC[N@@H+]1CCC[C@H](OCC2CC2)C1)C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000551736210 516849192 /nfs/dbraw/zinc/84/91/92/516849192.db2.gz YBCWLDZHGGUTRG-SZPZYZBQSA-N 2 2 360.542 2.772 20 30 FFEDLP C(#CC[N@@H+]1CCC[C@@H](OCC2CC2)C1)C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000551736210 516849201 /nfs/dbraw/zinc/84/92/01/516849201.db2.gz YBCWLDZHGGUTRG-SZPZYZBQSA-N 2 2 360.542 2.772 20 30 FFEDLP C(#CC[N@H+]1CCC[C@@H](OCC2CC2)C1)C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000551736210 516849207 /nfs/dbraw/zinc/84/92/07/516849207.db2.gz YBCWLDZHGGUTRG-SZPZYZBQSA-N 2 2 360.542 2.772 20 30 FFEDLP C[NH+](CCC[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1)Cc1ccco1 ZINC000552058817 517054559 /nfs/dbraw/zinc/05/45/59/517054559.db2.gz AMOSSNSXHGXKCP-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP C[NH+](CCC[N@H+](C)CCC(=O)Nc1cccc(C#N)c1)Cc1ccco1 ZINC000552058817 517054569 /nfs/dbraw/zinc/05/45/69/517054569.db2.gz AMOSSNSXHGXKCP-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC(=O)Nc1cccc(C#N)c1 ZINC000552058817 517054576 /nfs/dbraw/zinc/05/45/76/517054576.db2.gz AMOSSNSXHGXKCP-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC(=O)Nc1cccc(C#N)c1 ZINC000552058817 517054586 /nfs/dbraw/zinc/05/45/86/517054586.db2.gz AMOSSNSXHGXKCP-UHFFFAOYSA-N 2 2 354.454 2.934 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(CC#N)c3)CC2)CC1 ZINC000562935843 517513887 /nfs/dbraw/zinc/51/38/87/517513887.db2.gz FTGUPCVVPCADMA-UHFFFAOYSA-N 2 2 369.513 2.777 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(CC#N)c3)CC2)CC1 ZINC000562935843 517513898 /nfs/dbraw/zinc/51/38/98/517513898.db2.gz FTGUPCVVPCADMA-UHFFFAOYSA-N 2 2 369.513 2.777 20 30 FFEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000542878998 517794753 /nfs/dbraw/zinc/79/47/53/517794753.db2.gz DLKUMNLOPXDOMZ-XOBRGWDASA-N 2 2 359.433 2.930 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)cc(C#N)c3)CC2)CC1 ZINC000516860713 517877540 /nfs/dbraw/zinc/87/75/40/517877540.db2.gz WNHRHKGRYYUUMG-UHFFFAOYSA-N 2 2 369.513 2.891 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)cc(C#N)c3)CC2)CC1 ZINC000516860713 517877551 /nfs/dbraw/zinc/87/75/51/517877551.db2.gz WNHRHKGRYYUUMG-UHFFFAOYSA-N 2 2 369.513 2.891 20 30 FFEDLP Cc1csc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C#N ZINC000563820792 518138477 /nfs/dbraw/zinc/13/84/77/518138477.db2.gz LPLIZDWNKSFFFM-UHFFFAOYSA-N 2 2 361.515 2.608 20 30 FFEDLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](C#N)CCC#N)[nH+]c12 ZINC000576624890 518682526 /nfs/dbraw/zinc/68/25/26/518682526.db2.gz OJXILTAIHGIFLO-ZDUSSCGKSA-N 2 2 360.259 2.981 20 30 FFEDLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1)[NH+](C)C ZINC000571755393 519258985 /nfs/dbraw/zinc/25/89/85/519258985.db2.gz BIPOICXBMSXGJV-JLMWRMLUSA-N 2 2 367.493 2.887 20 30 FFEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000575120956 519511080 /nfs/dbraw/zinc/51/10/80/519511080.db2.gz TWPDMKXEXYTRAV-NVXWUHKLSA-N 2 2 366.868 2.581 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594441400 519965498 /nfs/dbraw/zinc/96/54/98/519965498.db2.gz RMYMCBHOVCFJGW-JZXOWHBKSA-N 2 2 358.486 2.646 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594441400 519965504 /nfs/dbraw/zinc/96/55/04/519965504.db2.gz RMYMCBHOVCFJGW-JZXOWHBKSA-N 2 2 358.486 2.646 20 30 FFEDLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594444699 519969245 /nfs/dbraw/zinc/96/92/45/519969245.db2.gz BTQPIGCUZJNCHI-IKGGRYGDSA-N 2 2 366.868 2.752 20 30 FFEDLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594444699 519969251 /nfs/dbraw/zinc/96/92/51/519969251.db2.gz BTQPIGCUZJNCHI-IKGGRYGDSA-N 2 2 366.868 2.752 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000608438204 519979583 /nfs/dbraw/zinc/97/95/83/519979583.db2.gz NYRKRQXYCWKZIE-IBGZPJMESA-N 2 2 367.497 2.654 20 30 FFEDLP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000602956460 519993082 /nfs/dbraw/zinc/99/30/82/519993082.db2.gz QPTJIUNIDSLVSX-FQEVSTJZSA-N 2 2 371.525 2.833 20 30 FFEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@]1(O)CCCOC1 ZINC000594995861 520247943 /nfs/dbraw/zinc/24/79/43/520247943.db2.gz LGLWZFOZTMVZCQ-JOCHJYFZSA-N 2 2 371.525 2.680 20 30 FFEDLP C[C@@](C#N)(NC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)C1CC1 ZINC000595552283 520547647 /nfs/dbraw/zinc/54/76/47/520547647.db2.gz SHJIKEKJNBLYLD-NRFANRHFSA-N 2 2 365.481 2.626 20 30 FFEDLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(C#N)c(N[C@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000596090394 520906382 /nfs/dbraw/zinc/90/63/82/520906382.db2.gz CYQURTMCEVBWQC-CVEARBPZSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000596090394 520906392 /nfs/dbraw/zinc/90/63/92/520906392.db2.gz CYQURTMCEVBWQC-CVEARBPZSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000596090394 520906397 /nfs/dbraw/zinc/90/63/97/520906397.db2.gz CYQURTMCEVBWQC-CVEARBPZSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000596090394 520906406 /nfs/dbraw/zinc/90/64/06/520906406.db2.gz CYQURTMCEVBWQC-CVEARBPZSA-N 3 2 366.513 2.559 20 30 FFEDLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612157897 521510868 /nfs/dbraw/zinc/51/08/68/521510868.db2.gz FYHPJFBFIVJWRC-AVRDEDQJSA-N 2 2 368.525 2.781 20 30 FFEDLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612157897 521510880 /nfs/dbraw/zinc/51/08/80/521510880.db2.gz FYHPJFBFIVJWRC-AVRDEDQJSA-N 2 2 368.525 2.781 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000623535868 522099766 /nfs/dbraw/zinc/09/97/66/522099766.db2.gz HFRVAKHDQSLMNJ-MRXNPFEDSA-N 2 2 368.905 2.850 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1OC ZINC000623535868 522099776 /nfs/dbraw/zinc/09/97/76/522099776.db2.gz HFRVAKHDQSLMNJ-MRXNPFEDSA-N 2 2 368.905 2.850 20 30 FFEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1cccs1 ZINC000262272717 729662930 /nfs/dbraw/zinc/66/29/30/729662930.db2.gz KPYLTRJXLZFUBY-CQSZACIVSA-N 2 2 360.483 2.939 20 30 FFEDLP C=CC(C)(C)CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000872875179 731845096 /nfs/dbraw/zinc/84/50/96/731845096.db2.gz WTEBJNFXQYWESZ-UHFFFAOYSA-N 2 2 350.551 2.837 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876894774 732293325 /nfs/dbraw/zinc/29/33/25/732293325.db2.gz XJQDSNVVXILQEB-SOUVJXGZSA-N 2 2 360.260 2.810 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876894774 732293326 /nfs/dbraw/zinc/29/33/26/732293326.db2.gz XJQDSNVVXILQEB-SOUVJXGZSA-N 2 2 360.260 2.810 20 30 FFEDLP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc[nH+]c1N ZINC000663950574 732519599 /nfs/dbraw/zinc/51/95/99/732519599.db2.gz LIAMQVAYKZZKHC-UHFFFAOYSA-N 2 2 358.515 2.762 20 30 FFEDLP C(#CC[N@@H+]1CC[C@@H](c2nccs2)C1)C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319089 732887548 /nfs/dbraw/zinc/88/75/48/732887548.db2.gz ASRWQHIUOJJHAQ-IYBDPMFKSA-N 2 2 358.536 2.882 20 30 FFEDLP C(#CC[N@H+]1CC[C@@H](c2nccs2)C1)C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319089 732887551 /nfs/dbraw/zinc/88/75/51/732887551.db2.gz ASRWQHIUOJJHAQ-IYBDPMFKSA-N 2 2 358.536 2.882 20 30 FFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461030 740751040 /nfs/dbraw/zinc/75/10/40/740751040.db2.gz XMFWOMSHPYGQIX-LZQZEXGQSA-N 2 2 361.917 2.521 20 30 FFEDLP C=C(Cl)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970461030 740751042 /nfs/dbraw/zinc/75/10/42/740751042.db2.gz XMFWOMSHPYGQIX-LZQZEXGQSA-N 2 2 361.917 2.521 20 30 FFEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000834759440 745895458 /nfs/dbraw/zinc/89/54/58/745895458.db2.gz CAOQMYIJAHQIAW-ZCNNSNEGSA-N 2 2 362.539 2.620 20 30 FFEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000834759440 745895463 /nfs/dbraw/zinc/89/54/63/745895463.db2.gz CAOQMYIJAHQIAW-ZCNNSNEGSA-N 2 2 362.539 2.620 20 30 FFEDLP C=CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001104902410 971128137 /nfs/dbraw/zinc/12/81/37/971128137.db2.gz SAGCXNBHRDDJCK-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121085761 961858670 /nfs/dbraw/zinc/85/86/70/961858670.db2.gz ITICPMRGBMJGAT-LJQANCHMSA-N 2 2 360.421 2.631 20 30 FFEDLP CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261931635 964609263 /nfs/dbraw/zinc/60/92/63/964609263.db2.gz BLRJTEVNQKNCFD-RDJZCZTQSA-N 2 2 369.469 2.660 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1c1ccccc1 ZINC001211625496 968266931 /nfs/dbraw/zinc/26/69/31/968266931.db2.gz JOFIDLPNIZKOFH-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2C)[C@@H]1CC ZINC001087607077 968342359 /nfs/dbraw/zinc/34/23/59/968342359.db2.gz JVVPMSBTGMPADO-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)[C@@H]1CC ZINC001087607077 968342366 /nfs/dbraw/zinc/34/23/66/968342366.db2.gz JVVPMSBTGMPADO-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2C)[C@@H]1CC ZINC001087607077 968342372 /nfs/dbraw/zinc/34/23/72/968342372.db2.gz JVVPMSBTGMPADO-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2C)[C@@H]1CC ZINC001087607077 968342381 /nfs/dbraw/zinc/34/23/81/968342381.db2.gz JVVPMSBTGMPADO-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1ccccc1C#N ZINC001087625338 968404632 /nfs/dbraw/zinc/40/46/32/968404632.db2.gz CIYHLXBKCFJBGK-ZCNNSNEGSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1C#N ZINC001087625338 968404639 /nfs/dbraw/zinc/40/46/39/968404639.db2.gz CIYHLXBKCFJBGK-ZCNNSNEGSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1C#N ZINC001087625338 968404643 /nfs/dbraw/zinc/40/46/43/968404643.db2.gz CIYHLXBKCFJBGK-ZCNNSNEGSA-N 2 2 354.498 2.512 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1C#N ZINC001087625338 968404648 /nfs/dbraw/zinc/40/46/48/968404648.db2.gz CIYHLXBKCFJBGK-ZCNNSNEGSA-N 2 2 354.498 2.512 20 30 FFEDLP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001024444790 968926533 /nfs/dbraw/zinc/92/65/33/968926533.db2.gz DJWXSHIGIFYQEZ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001024444790 968926545 /nfs/dbraw/zinc/92/65/45/968926545.db2.gz DJWXSHIGIFYQEZ-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000985435044 974071695 /nfs/dbraw/zinc/07/16/95/974071695.db2.gz GWCZHKKBVPUCON-IEBWSBKVSA-N 2 2 356.514 2.653 20 30 FFEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000985435044 974071702 /nfs/dbraw/zinc/07/17/02/974071702.db2.gz GWCZHKKBVPUCON-IEBWSBKVSA-N 2 2 356.514 2.653 20 30 FFEDLP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447896 974525341 /nfs/dbraw/zinc/52/53/41/974525341.db2.gz BDMADUKFMVAXJM-IPMKNSEASA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027447896 974525347 /nfs/dbraw/zinc/52/53/47/974525347.db2.gz BDMADUKFMVAXJM-IPMKNSEASA-N 2 2 363.465 2.508 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211715862 977405994 /nfs/dbraw/zinc/40/59/94/977405994.db2.gz UUIHSLVUPJXCIL-VQTJNVASSA-N 2 2 352.482 2.513 20 30 FFEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000261792661 978321094 /nfs/dbraw/zinc/32/10/94/978321094.db2.gz QOBWHNFXLQQESN-LPHOPBHVSA-N 2 2 368.529 2.687 20 30 FFEDLP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160111520 979610557 /nfs/dbraw/zinc/61/05/57/979610557.db2.gz MWUDWXMVNRBWQR-QFBILLFUSA-N 2 2 369.517 2.853 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC1 ZINC000888185841 981075637 /nfs/dbraw/zinc/07/56/37/981075637.db2.gz SAWPBMIYALRARD-QAQDUYKDSA-N 2 2 357.502 2.754 20 30 FFEDLP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC001105564002 982412613 /nfs/dbraw/zinc/41/26/13/982412613.db2.gz VGULSRWNOQEDSW-GGPKGHCWSA-N 2 2 368.525 2.688 20 30 FFEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088898384 985369064 /nfs/dbraw/zinc/36/90/64/985369064.db2.gz CDGVOSVWYVJHTA-BAGYTPMASA-N 2 2 367.537 2.880 20 30 FFEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)[C@@H]1C ZINC001088898384 985369075 /nfs/dbraw/zinc/36/90/75/985369075.db2.gz CDGVOSVWYVJHTA-BAGYTPMASA-N 2 2 367.537 2.880 20 30 FFEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088898384 985369088 /nfs/dbraw/zinc/36/90/88/985369088.db2.gz CDGVOSVWYVJHTA-BAGYTPMASA-N 2 2 367.537 2.880 20 30 FFEDLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H]1C ZINC001088898384 985369097 /nfs/dbraw/zinc/36/90/97/985369097.db2.gz CDGVOSVWYVJHTA-BAGYTPMASA-N 2 2 367.537 2.880 20 30 FFEDLP C[C@H]1CCCC[N@@H+]1CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153976501 989787965 /nfs/dbraw/zinc/78/79/65/989787965.db2.gz ZFVUXUWOYRCNGD-HNNXBMFYSA-N 2 2 367.497 2.521 20 30 FFEDLP C[C@H]1CCCC[N@H+]1CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000153976501 989787975 /nfs/dbraw/zinc/78/79/75/989787975.db2.gz ZFVUXUWOYRCNGD-HNNXBMFYSA-N 2 2 367.497 2.521 20 30 FFEDLP N#Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001034665056 990157468 /nfs/dbraw/zinc/15/74/68/990157468.db2.gz AJUWDDTXBJGZFH-NCXUSEDFSA-N 2 2 363.465 2.602 20 30 FFEDLP CN(C)c1nc(N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cc[nH+]1 ZINC000135245557 991155845 /nfs/dbraw/zinc/15/58/45/991155845.db2.gz ZTSHPFAAVWGXCS-UHFFFAOYSA-N 2 2 364.497 2.666 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001079155698 991858598 /nfs/dbraw/zinc/85/85/98/991858598.db2.gz ODZDUXOMPBNKDW-RBUKOAKNSA-N 2 2 356.445 2.573 20 30 FFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)c(O)c(OCC)c1 ZINC001206048729 1032123459 /nfs/dbraw/zinc/12/34/59/1032123459.db2.gz XDSBMPQGODUYSZ-UHFFFAOYSA-N 2 2 355.276 2.598 20 30 FFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)c(O)c(OCC)c1 ZINC001206048729 1032123467 /nfs/dbraw/zinc/12/34/67/1032123467.db2.gz XDSBMPQGODUYSZ-UHFFFAOYSA-N 2 2 355.276 2.598 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318449 992953921 /nfs/dbraw/zinc/95/39/21/992953921.db2.gz SHJMPGOVDBQAIL-OLMNPRSZSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318449 992953931 /nfs/dbraw/zinc/95/39/31/992953931.db2.gz SHJMPGOVDBQAIL-OLMNPRSZSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318449 992953936 /nfs/dbraw/zinc/95/39/36/992953936.db2.gz SHJMPGOVDBQAIL-OLMNPRSZSA-N 2 2 353.938 2.973 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318449 992953945 /nfs/dbraw/zinc/95/39/45/992953945.db2.gz SHJMPGOVDBQAIL-OLMNPRSZSA-N 2 2 353.938 2.973 20 30 FFEDLP C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880260719 1015792424 /nfs/dbraw/zinc/79/24/24/1015792424.db2.gz FFRKKIQUXXCBTL-GOSISDBHSA-N 2 2 363.465 2.539 20 30 FFEDLP C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880260719 1015792430 /nfs/dbraw/zinc/79/24/30/1015792430.db2.gz FFRKKIQUXXCBTL-GOSISDBHSA-N 2 2 363.465 2.539 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001081128318 993686914 /nfs/dbraw/zinc/68/69/14/993686914.db2.gz TXERVVQMUPBQOI-FTEYMNFISA-N 2 2 350.466 2.674 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001081128318 993686919 /nfs/dbraw/zinc/68/69/19/993686919.db2.gz TXERVVQMUPBQOI-FTEYMNFISA-N 2 2 350.466 2.674 20 30 FFEDLP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001131528098 994356970 /nfs/dbraw/zinc/35/69/70/994356970.db2.gz LCGJDCDNQVGQPD-XLIONFOSSA-N 2 2 368.481 2.510 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001085000136 998613263 /nfs/dbraw/zinc/61/32/63/998613263.db2.gz RHBZMTPCOCHFCW-XLIONFOSSA-N 2 2 350.466 2.985 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC001085000136 998613270 /nfs/dbraw/zinc/61/32/70/998613270.db2.gz RHBZMTPCOCHFCW-XLIONFOSSA-N 2 2 350.466 2.985 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001085202891 999154634 /nfs/dbraw/zinc/15/46/34/999154634.db2.gz BYIIQKBUOIQYDV-NCXUSEDFSA-N 2 2 356.514 2.747 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001091799869 1001849149 /nfs/dbraw/zinc/84/91/49/1001849149.db2.gz GZLSKIHCOJUUJB-LZJOCLMNSA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@]2(C)C1 ZINC001091799869 1001849158 /nfs/dbraw/zinc/84/91/58/1001849158.db2.gz GZLSKIHCOJUUJB-LZJOCLMNSA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@]2(C)C1 ZINC001091799869 1001849171 /nfs/dbraw/zinc/84/91/71/1001849171.db2.gz GZLSKIHCOJUUJB-LZJOCLMNSA-N 2 2 356.514 2.570 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@]2(C)C1 ZINC001091799869 1001849182 /nfs/dbraw/zinc/84/91/82/1001849182.db2.gz GZLSKIHCOJUUJB-LZJOCLMNSA-N 2 2 356.514 2.570 20 30 FFEDLP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001086594535 1002572605 /nfs/dbraw/zinc/57/26/05/1002572605.db2.gz GCVQFMYHWNOBNY-VQTJNVASSA-N 2 2 364.493 2.534 20 30 FFEDLP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001086594535 1002572613 /nfs/dbraw/zinc/57/26/13/1002572613.db2.gz GCVQFMYHWNOBNY-VQTJNVASSA-N 2 2 364.493 2.534 20 30 FFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccc(O)c(C#N)c2)cc1 ZINC001198021739 1004460720 /nfs/dbraw/zinc/46/07/20/1004460720.db2.gz MZBBZPWSPAXOFR-UHFFFAOYSA-N 2 2 366.465 2.900 20 30 FFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccc(O)c(C#N)c2)cc1 ZINC001198021739 1004460728 /nfs/dbraw/zinc/46/07/28/1004460728.db2.gz MZBBZPWSPAXOFR-UHFFFAOYSA-N 2 2 366.465 2.900 20 30 FFEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000818584587 1007948135 /nfs/dbraw/zinc/94/81/35/1007948135.db2.gz PTPMYWMHWQTCIY-GOSISDBHSA-N 2 2 356.514 2.565 20 30 FFEDLP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001136411257 1008411307 /nfs/dbraw/zinc/41/13/07/1008411307.db2.gz GTSKMDYZKFCGKB-HDICACEKSA-N 2 2 357.502 2.746 20 30 FFEDLP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)O2)CO1 ZINC000886330625 1008639008 /nfs/dbraw/zinc/63/90/08/1008639008.db2.gz VBPUSMKHQBAERK-ZPMCFJSWSA-N 2 2 369.509 2.839 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC4(CO3)CCOCC4)CC2)cc1 ZINC000865779186 1010860793 /nfs/dbraw/zinc/86/07/93/1010860793.db2.gz CZAIHVURTJIILS-NRFANRHFSA-N 2 2 369.509 2.698 20 30 FFEDLP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001172590455 1011900528 /nfs/dbraw/zinc/90/05/28/1011900528.db2.gz CVOLAHQCVYOISQ-AZUAARDMSA-N 2 2 355.482 2.844 20 30 FFEDLP Cc1ccc(NC(=[NH2+])NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1C ZINC000304810798 1012882649 /nfs/dbraw/zinc/88/26/49/1012882649.db2.gz WTBPJFZPWSLISO-UHFFFAOYSA-N 3 2 357.546 2.980 20 30 FFEDLP C=CCCCCCCCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001275803568 1013021247 /nfs/dbraw/zinc/02/12/47/1013021247.db2.gz JYHDYPVHNBGNKB-UHFFFAOYSA-N 2 2 365.562 2.768 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1c(C)cccc1C ZINC001097247463 1017246158 /nfs/dbraw/zinc/24/61/58/1017246158.db2.gz BYWMDAMUSDUGPH-YJMBLLCNSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1c(C)cccc1C ZINC001097247463 1017246166 /nfs/dbraw/zinc/24/61/66/1017246166.db2.gz BYWMDAMUSDUGPH-YJMBLLCNSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1c(C)cccc1C ZINC001097247463 1017246177 /nfs/dbraw/zinc/24/61/77/1017246177.db2.gz BYWMDAMUSDUGPH-YJMBLLCNSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1c(C)cccc1C ZINC001097247463 1017246185 /nfs/dbraw/zinc/24/61/85/1017246185.db2.gz BYWMDAMUSDUGPH-YJMBLLCNSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/c1ccccc1 ZINC001097248247 1017247144 /nfs/dbraw/zinc/24/71/44/1017247144.db2.gz UQGPDVXASRMLIC-DKBLZTRGSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/c1ccccc1 ZINC001097248247 1017247148 /nfs/dbraw/zinc/24/71/48/1017247148.db2.gz UQGPDVXASRMLIC-DKBLZTRGSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C/C=C/c1ccccc1 ZINC001097248247 1017247153 /nfs/dbraw/zinc/24/71/53/1017247153.db2.gz UQGPDVXASRMLIC-DKBLZTRGSA-N 2 2 363.505 2.519 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C/C=C/c1ccccc1 ZINC001097248247 1017247159 /nfs/dbraw/zinc/24/71/59/1017247159.db2.gz UQGPDVXASRMLIC-DKBLZTRGSA-N 2 2 363.505 2.519 20 30 FFEDLP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cccc(C#N)c1O ZINC000924689362 1017419692 /nfs/dbraw/zinc/41/96/92/1017419692.db2.gz KFONUUSJKMBKQN-LJQANCHMSA-N 2 2 365.481 2.652 20 30 FFEDLP Cc1cc(N(CCC#N)C(=O)C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccc1Cl ZINC000931432759 1020462560 /nfs/dbraw/zinc/46/25/60/1020462560.db2.gz COOIROSSKBLULZ-SJORKVTESA-N 2 2 374.916 2.779 20 30 FFEDLP Cc1cc(N(CCC#N)C(=O)C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1Cl ZINC000931432759 1020462567 /nfs/dbraw/zinc/46/25/67/1020462567.db2.gz COOIROSSKBLULZ-SJORKVTESA-N 2 2 374.916 2.779 20 30 FFEDLP Cc1cc(N(CCC#N)C(=O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1Cl ZINC000931432759 1020462575 /nfs/dbraw/zinc/46/25/75/1020462575.db2.gz COOIROSSKBLULZ-SJORKVTESA-N 2 2 374.916 2.779 20 30 FFEDLP Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1Cl ZINC000931432759 1020462583 /nfs/dbraw/zinc/46/25/83/1020462583.db2.gz COOIROSSKBLULZ-SJORKVTESA-N 2 2 374.916 2.779 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000749888218 1021108051 /nfs/dbraw/zinc/10/80/51/1021108051.db2.gz KNGQNDAJBKLROF-NRFANRHFSA-N 2 2 364.493 2.703 20 30 FFEDLP C#Cc1ccc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000934926837 1021471134 /nfs/dbraw/zinc/47/11/34/1021471134.db2.gz ISDRMQOJPZSBEJ-UHFFFAOYSA-N 2 2 354.498 2.692 20 30 FFEDLP C#Cc1ccc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000934926837 1021471142 /nfs/dbraw/zinc/47/11/42/1021471142.db2.gz ISDRMQOJPZSBEJ-UHFFFAOYSA-N 2 2 354.498 2.692 20 30 FFEDLP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001016629364 1022058962 /nfs/dbraw/zinc/05/89/62/1022058962.db2.gz NPGJGHZYMTTZBO-GUDVDZBRSA-N 2 2 368.525 2.701 20 30 FFEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001111169588 1022187399 /nfs/dbraw/zinc/18/73/99/1022187399.db2.gz ZUHYFMVQUAWWEV-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001111169588 1022187404 /nfs/dbraw/zinc/18/74/04/1022187404.db2.gz ZUHYFMVQUAWWEV-AQNXPRMDSA-N 2 2 373.928 2.755 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001121683050 1023925541 /nfs/dbraw/zinc/92/55/41/1023925541.db2.gz ZWNPPQDDXTZGCZ-KRWDZBQOSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001121683050 1023925544 /nfs/dbraw/zinc/92/55/44/1023925544.db2.gz ZWNPPQDDXTZGCZ-KRWDZBQOSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001223013068 1033243010 /nfs/dbraw/zinc/24/30/10/1033243010.db2.gz JROHXXXIAZRRAY-HLIPFELVSA-N 2 2 356.514 2.712 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)C[C@@H]21 ZINC001223013068 1033243024 /nfs/dbraw/zinc/24/30/24/1033243024.db2.gz JROHXXXIAZRRAY-HLIPFELVSA-N 2 2 356.514 2.712 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001223013068 1033243035 /nfs/dbraw/zinc/24/30/35/1033243035.db2.gz JROHXXXIAZRRAY-HLIPFELVSA-N 2 2 356.514 2.712 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@@H]21 ZINC001223013068 1033243040 /nfs/dbraw/zinc/24/30/40/1033243040.db2.gz JROHXXXIAZRRAY-HLIPFELVSA-N 2 2 356.514 2.712 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986743 1025249904 /nfs/dbraw/zinc/24/99/04/1025249904.db2.gz JFZQDGAEFZFCPQ-FGTMMUONSA-N 2 2 358.530 2.801 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC001101986743 1025249912 /nfs/dbraw/zinc/24/99/12/1025249912.db2.gz JFZQDGAEFZFCPQ-FGTMMUONSA-N 2 2 358.530 2.801 20 30 FFEDLP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160948738 1027938055 /nfs/dbraw/zinc/93/80/55/1027938055.db2.gz OUOHQGXELPIPFP-FHZYATBESA-N 2 2 374.488 2.600 20 30 FFEDLP C[NH+](C)C1(CNc2cc(/C=N/O)cc(C(F)(F)F)c2)CC[NH+](C)CC1 ZINC001164213098 1029206278 /nfs/dbraw/zinc/20/62/78/1029206278.db2.gz OAWOMJZYWFIMNX-SSDVNMTOSA-N 2 2 358.408 2.951 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC001112438870 1030811328 /nfs/dbraw/zinc/81/13/28/1030811328.db2.gz JQDUSLVNWKXQBT-WFXMLNOXSA-N 2 2 356.514 2.630 20 30 FFEDLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001205466997 1031768132 /nfs/dbraw/zinc/76/81/32/1031768132.db2.gz FJQNJBNBUJPIQS-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001205466997 1031768147 /nfs/dbraw/zinc/76/81/47/1031768147.db2.gz FJQNJBNBUJPIQS-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001205466997 1031768166 /nfs/dbraw/zinc/76/81/66/1031768166.db2.gz FJQNJBNBUJPIQS-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001205466997 1031768180 /nfs/dbraw/zinc/76/81/80/1031768180.db2.gz FJQNJBNBUJPIQS-TZIWHRDSSA-N 2 2 357.473 2.878 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777261 1033810503 /nfs/dbraw/zinc/81/05/03/1033810503.db2.gz FGGPSMQFAPAZAG-HXUWFJFHSA-N 2 2 366.509 2.561 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777261 1033810510 /nfs/dbraw/zinc/81/05/10/1033810510.db2.gz FGGPSMQFAPAZAG-HXUWFJFHSA-N 2 2 366.509 2.561 20 30 FFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001221652185 1034952050 /nfs/dbraw/zinc/95/20/50/1034952050.db2.gz GGYDFZICFPYJDM-QWFCFKBJSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001221652185 1034952062 /nfs/dbraw/zinc/95/20/62/1034952062.db2.gz GGYDFZICFPYJDM-QWFCFKBJSA-N 2 2 358.530 2.949 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCn2cc[nH+]c2)c(F)c1 ZINC001227839432 1035765072 /nfs/dbraw/zinc/76/50/72/1035765072.db2.gz BHDANDDQVQOWSF-RTBURBONSA-N 2 2 369.444 2.501 20 30 FFEDLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043072 1036286628 /nfs/dbraw/zinc/28/66/28/1036286628.db2.gz CQIDTJFFQULFOB-KRWDZBQOSA-N 2 2 354.454 2.735 20 30 FFEDLP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043072 1036286643 /nfs/dbraw/zinc/28/66/43/1036286643.db2.gz CQIDTJFFQULFOB-KRWDZBQOSA-N 2 2 354.454 2.735 20 30 FFEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229038418 1036469296 /nfs/dbraw/zinc/46/92/96/1036469296.db2.gz UQHMWDZKHYTXFS-CDHQVMDDSA-N 2 2 365.481 2.677 20 30 FFEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229038418 1036469306 /nfs/dbraw/zinc/46/93/06/1036469306.db2.gz UQHMWDZKHYTXFS-CDHQVMDDSA-N 2 2 365.481 2.677 20 30 FFEDLP C#CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)C1=O ZINC001277905229 1037230986 /nfs/dbraw/zinc/23/09/86/1037230986.db2.gz KKLLZCGFRVLOFM-HXUWFJFHSA-N 2 2 368.868 2.583 20 30 FFEDLP C#CCN1CC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3Cl)C2)C1=O ZINC001277905229 1037230997 /nfs/dbraw/zinc/23/09/97/1037230997.db2.gz KKLLZCGFRVLOFM-HXUWFJFHSA-N 2 2 368.868 2.583 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCCn2cc[nH+]c2)s1 ZINC001230344473 1037239619 /nfs/dbraw/zinc/23/96/19/1037239619.db2.gz WGXKGHAETLPGKA-QZTJIDSGSA-N 2 2 371.510 2.814 20 30 FFEDLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)n(C)n1 ZINC001278925705 1038464827 /nfs/dbraw/zinc/46/48/27/1038464827.db2.gz LHRCOIHBSBZWQC-MQVJKMGUSA-N 2 2 355.511 2.947 20 30 FFEDLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)n(C)n1 ZINC001278925705 1038464833 /nfs/dbraw/zinc/46/48/33/1038464833.db2.gz LHRCOIHBSBZWQC-MQVJKMGUSA-N 2 2 355.511 2.947 20 30 FFEDLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001278939633 1038531384 /nfs/dbraw/zinc/53/13/84/1038531384.db2.gz PRZOETXOJLFEJU-OAQYLSRUSA-N 2 2 358.505 2.937 20 30 FFEDLP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001278939633 1038531391 /nfs/dbraw/zinc/53/13/91/1038531391.db2.gz PRZOETXOJLFEJU-OAQYLSRUSA-N 2 2 358.505 2.937 20 30 FFEDLP C=C[C@@](C)(O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2ccccc2c1 ZINC001252583573 1039601676 /nfs/dbraw/zinc/60/16/76/1039601676.db2.gz NPWPOKKTLMKDEQ-PZJWPPBQSA-N 2 2 364.449 2.639 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001262948227 1041983091 /nfs/dbraw/zinc/98/30/91/1041983091.db2.gz FHBWQYMYVJCYDX-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001262948227 1041983095 /nfs/dbraw/zinc/98/30/95/1041983095.db2.gz FHBWQYMYVJCYDX-QZTJIDSGSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001263287543 1042222742 /nfs/dbraw/zinc/22/27/42/1042222742.db2.gz LIEDOTNYMUOFIT-ROUUACIJSA-N 2 2 360.550 2.617 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001263287543 1042222748 /nfs/dbraw/zinc/22/27/48/1042222748.db2.gz LIEDOTNYMUOFIT-ROUUACIJSA-N 2 2 360.550 2.617 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001263300897 1042228447 /nfs/dbraw/zinc/22/84/47/1042228447.db2.gz CNCJTMXVCPAPSB-VJANTYMQSA-N 2 2 372.561 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001263300897 1042228449 /nfs/dbraw/zinc/22/84/49/1042228449.db2.gz CNCJTMXVCPAPSB-VJANTYMQSA-N 2 2 372.561 2.787 20 30 FFEDLP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001264021362 1042586544 /nfs/dbraw/zinc/58/65/44/1042586544.db2.gz SWQRJRWHAUGWPW-NCXUSEDFSA-N 2 2 356.514 2.544 20 30 FFEDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cn(C)c3ccc(C#N)cc13)CC2 ZINC001237467227 1043184658 /nfs/dbraw/zinc/18/46/58/1043184658.db2.gz BFVPLPIXOLOVGJ-UHFFFAOYSA-N 2 2 351.454 2.680 20 30 FFEDLP CCc1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)ccc1C#N ZINC001238760706 1043874590 /nfs/dbraw/zinc/87/45/90/1043874590.db2.gz OHFKQNPCLCNGNA-QFIPXVFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](CCOC)C3)ccc1C#N ZINC001238760706 1043874607 /nfs/dbraw/zinc/87/46/07/1043874607.db2.gz OHFKQNPCLCNGNA-QFIPXVFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](CCOC)C3)ccc1C#N ZINC001238760706 1043874627 /nfs/dbraw/zinc/87/46/27/1043874627.db2.gz OHFKQNPCLCNGNA-QFIPXVFZSA-N 2 2 371.525 2.681 20 30 FFEDLP CCc1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](CCOC)C3)ccc1C#N ZINC001238760706 1043874647 /nfs/dbraw/zinc/87/46/47/1043874647.db2.gz OHFKQNPCLCNGNA-QFIPXVFZSA-N 2 2 371.525 2.681 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H](O)CC3(O)CCCCC3)CC2)c1 ZINC001335412370 1053346426 /nfs/dbraw/zinc/34/64/26/1053346426.db2.gz HNOCEIOPNCOKAJ-NRFANRHFSA-N 2 2 371.525 2.558 20 30 FFEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)CC1 ZINC001338889284 1055906446 /nfs/dbraw/zinc/90/64/46/1055906446.db2.gz ZBDGCFKTSKQVGQ-NRFANRHFSA-N 2 2 353.510 2.517 20 30 FFEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)CC1 ZINC001338889284 1055906457 /nfs/dbraw/zinc/90/64/57/1055906457.db2.gz ZBDGCFKTSKQVGQ-NRFANRHFSA-N 2 2 353.510 2.517 20 30 FFEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001338994557 1055998407 /nfs/dbraw/zinc/99/84/07/1055998407.db2.gz FUIIFPIQELOZLG-WMZOPIPTSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001338994557 1055998412 /nfs/dbraw/zinc/99/84/12/1055998412.db2.gz FUIIFPIQELOZLG-WMZOPIPTSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001338994557 1055998418 /nfs/dbraw/zinc/99/84/18/1055998418.db2.gz FUIIFPIQELOZLG-WMZOPIPTSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001338994557 1055998423 /nfs/dbraw/zinc/99/84/23/1055998423.db2.gz FUIIFPIQELOZLG-WMZOPIPTSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001339567548 1056592022 /nfs/dbraw/zinc/59/20/22/1056592022.db2.gz MZCOGLNMUDEPTG-SFHVURJKSA-N 2 2 360.550 2.618 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000623579245 1056594273 /nfs/dbraw/zinc/59/42/73/1056594273.db2.gz SWNSNLXJFDCUKW-UHFFFAOYSA-N 2 2 374.533 2.660 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001515298220 1059514768 /nfs/dbraw/zinc/51/47/68/1059514768.db2.gz XUISKPUXPAGKTQ-HKUYNNGSSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001515298220 1059514790 /nfs/dbraw/zinc/51/47/90/1059514790.db2.gz XUISKPUXPAGKTQ-HKUYNNGSSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001515298220 1059514814 /nfs/dbraw/zinc/51/48/14/1059514814.db2.gz XUISKPUXPAGKTQ-HKUYNNGSSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001515298220 1059514835 /nfs/dbraw/zinc/51/48/35/1059514835.db2.gz XUISKPUXPAGKTQ-HKUYNNGSSA-N 2 2 372.561 2.932 20 30 FFEDLP C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001459622446 1060782420 /nfs/dbraw/zinc/78/24/20/1060782420.db2.gz AZAIESISWKDJJA-JOCHJYFZSA-N 2 2 364.493 2.626 20 30 FFEDLP C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001459622446 1060782427 /nfs/dbraw/zinc/78/24/27/1060782427.db2.gz AZAIESISWKDJJA-JOCHJYFZSA-N 2 2 364.493 2.626 20 30 FFEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]C3)o2)c1 ZINC001580074306 1078745668 /nfs/dbraw/zinc/74/56/68/1078745668.db2.gz JCHJGNSORGQMTQ-ROUUACIJSA-N 2 2 351.454 2.962 20 30 FFEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3[C@H]3CCC[NH2+]C3)o2)c1 ZINC001580074306 1078745675 /nfs/dbraw/zinc/74/56/75/1078745675.db2.gz JCHJGNSORGQMTQ-ROUUACIJSA-N 2 2 351.454 2.962 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3COc4ccccc4[C@H]3O)CC2)cc1 ZINC000290179275 257318909 /nfs/dbraw/zinc/31/89/09/257318909.db2.gz FEXBXEJFOIJAOF-RBBKRZOGSA-N 2 2 363.461 2.607 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000301301661 258041624 /nfs/dbraw/zinc/04/16/24/258041624.db2.gz VIPKSEDWDLBKIK-UHFFFAOYSA-N 2 2 362.481 2.882 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000301301661 258041625 /nfs/dbraw/zinc/04/16/25/258041625.db2.gz VIPKSEDWDLBKIK-UHFFFAOYSA-N 2 2 362.481 2.882 20 30 FFEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000410412713 512255957 /nfs/dbraw/zinc/25/59/57/512255957.db2.gz DWPBATQTZVCRTK-HKBOAZHASA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000410412713 512255961 /nfs/dbraw/zinc/25/59/61/512255961.db2.gz DWPBATQTZVCRTK-HKBOAZHASA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC000410412713 512255966 /nfs/dbraw/zinc/25/59/66/512255966.db2.gz DWPBATQTZVCRTK-HKBOAZHASA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1=O ZINC000410412713 512255970 /nfs/dbraw/zinc/25/59/70/512255970.db2.gz DWPBATQTZVCRTK-HKBOAZHASA-N 2 2 353.510 2.760 20 30 FFEDLP NC(=[NH+]OCc1noc(C2CC2)n1)c1ccccc1C[NH+]1CCCCC1 ZINC000067099145 506757642 /nfs/dbraw/zinc/75/76/42/506757642.db2.gz ABSMFIMZEKQTFA-UHFFFAOYSA-N 2 2 355.442 2.770 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000078533635 507880200 /nfs/dbraw/zinc/88/02/00/507880200.db2.gz KBRXAGFTZDNHMB-UHFFFAOYSA-N 2 2 362.543 2.616 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243517 508081594 /nfs/dbraw/zinc/08/15/94/508081594.db2.gz VHOVIOBYTZVJMG-OHTSDLOESA-N 2 2 357.502 2.839 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000083655142 508250875 /nfs/dbraw/zinc/25/08/75/508250875.db2.gz GNWYMBZYVXUROV-UHFFFAOYSA-N 2 2 367.497 2.575 20 30 FFEDLP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000157395972 508561611 /nfs/dbraw/zinc/56/16/11/508561611.db2.gz LPPXPULSQPBVCG-AZUAARDMSA-N 2 2 352.482 2.614 20 30 FFEDLP N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000157395972 508561614 /nfs/dbraw/zinc/56/16/14/508561614.db2.gz LPPXPULSQPBVCG-AZUAARDMSA-N 2 2 352.482 2.614 20 30 FFEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119062094 508717082 /nfs/dbraw/zinc/71/70/82/508717082.db2.gz IRZQOJRHHWRQLT-ROUUACIJSA-N 2 2 359.518 2.616 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160498058 508995510 /nfs/dbraw/zinc/99/55/10/508995510.db2.gz WOERMPHAVIUVTJ-HXUWFJFHSA-N 2 2 371.529 2.699 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160498058 508995514 /nfs/dbraw/zinc/99/55/14/508995514.db2.gz WOERMPHAVIUVTJ-HXUWFJFHSA-N 2 2 371.529 2.699 20 30 FFEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000164052236 509457879 /nfs/dbraw/zinc/45/78/79/509457879.db2.gz HLZPCBDQPPYFHD-FQEVSTJZSA-N 2 2 367.493 2.680 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249423594 509677168 /nfs/dbraw/zinc/67/71/68/509677168.db2.gz IARQFNFYBDEZSN-QKLQHJQFSA-N 2 2 372.513 2.612 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249423594 509677172 /nfs/dbraw/zinc/67/71/72/509677172.db2.gz IARQFNFYBDEZSN-QKLQHJQFSA-N 2 2 372.513 2.612 20 30 FFEDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000180039047 509720448 /nfs/dbraw/zinc/72/04/48/509720448.db2.gz OOUHLPSCOLWJTQ-IAGOWNOFSA-N 2 2 367.497 2.548 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000177907634 510320088 /nfs/dbraw/zinc/32/00/88/510320088.db2.gz RTVKPIVVSRZNHU-INIZCTEOSA-N 2 2 363.527 2.528 20 30 FFEDLP N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000181437612 510407406 /nfs/dbraw/zinc/40/74/06/510407406.db2.gz XGZRNYVGPSROOA-KRWDZBQOSA-N 2 2 374.286 2.528 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000181441918 510410124 /nfs/dbraw/zinc/41/01/24/510410124.db2.gz UIPVCMSHMGAMSR-NRFANRHFSA-N 2 2 353.441 2.985 20 30 FFEDLP COc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cc1C#N ZINC000269529484 510448757 /nfs/dbraw/zinc/44/87/57/510448757.db2.gz VRCCSJHWIORCEN-SFHVURJKSA-N 2 2 351.454 2.714 20 30 FFEDLP C[N@H+](Cc1cc(C#N)ccc1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188270920 510681196 /nfs/dbraw/zinc/68/11/96/510681196.db2.gz RQQXBVWAUAGBAW-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[N@@H+](Cc1cc(C#N)ccc1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188270920 510681205 /nfs/dbraw/zinc/68/12/05/510681205.db2.gz RQQXBVWAUAGBAW-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1cc(C#N)ccc1F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188270920 510681211 /nfs/dbraw/zinc/68/12/11/510681211.db2.gz RQQXBVWAUAGBAW-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1cc(C#N)ccc1F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188270920 510681218 /nfs/dbraw/zinc/68/12/18/510681218.db2.gz RQQXBVWAUAGBAW-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(c4ccccn4)C3)CC2)cc1 ZINC000182071217 510740683 /nfs/dbraw/zinc/74/06/83/510740683.db2.gz MCOKYVUAUDSLEI-OAQYLSRUSA-N 2 2 361.493 2.786 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2=O)cc1 ZINC000247015277 510800905 /nfs/dbraw/zinc/80/09/05/510800905.db2.gz XQINITVBQONRJI-QMMLZNLJSA-N 2 2 364.493 2.612 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cc1 ZINC000247015277 510800909 /nfs/dbraw/zinc/80/09/09/510800909.db2.gz XQINITVBQONRJI-QMMLZNLJSA-N 2 2 364.493 2.612 20 30 FFEDLP N#Cc1ccc(N2CC[C@H]([NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)cc1 ZINC000247015277 510800914 /nfs/dbraw/zinc/80/09/14/510800914.db2.gz XQINITVBQONRJI-QMMLZNLJSA-N 2 2 364.493 2.612 20 30 FFEDLP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000329993741 510895760 /nfs/dbraw/zinc/89/57/60/510895760.db2.gz LQVBQWOTZHRFBL-FQEVSTJZSA-N 2 2 372.513 2.813 20 30 FFEDLP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000329993741 510895763 /nfs/dbraw/zinc/89/57/63/510895763.db2.gz LQVBQWOTZHRFBL-FQEVSTJZSA-N 2 2 372.513 2.813 20 30 FFEDLP Cc1nccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000330153223 510925578 /nfs/dbraw/zinc/92/55/78/510925578.db2.gz MOMLNDSTIRXSCG-ROUUACIJSA-N 2 2 374.533 2.600 20 30 FFEDLP Cc1nccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000330153223 510925583 /nfs/dbraw/zinc/92/55/83/510925583.db2.gz MOMLNDSTIRXSCG-ROUUACIJSA-N 2 2 374.533 2.600 20 30 FFEDLP O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330265969 510951175 /nfs/dbraw/zinc/95/11/75/510951175.db2.gz ZYSWTKFNUMTVKX-KRWDZBQOSA-N 2 2 355.442 2.614 20 30 FFEDLP O=C(Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330265969 510951182 /nfs/dbraw/zinc/95/11/82/510951182.db2.gz ZYSWTKFNUMTVKX-KRWDZBQOSA-N 2 2 355.442 2.614 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277124614 510954375 /nfs/dbraw/zinc/95/43/75/510954375.db2.gz IAEDNCDFLNIGMP-IBGZPJMESA-N 2 2 356.514 2.966 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277124614 510954380 /nfs/dbraw/zinc/95/43/80/510954380.db2.gz IAEDNCDFLNIGMP-IBGZPJMESA-N 2 2 356.514 2.966 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277186248 510955977 /nfs/dbraw/zinc/95/59/77/510955977.db2.gz LONNBFKSUJTQBL-WMZOPIPTSA-N 2 2 360.477 2.877 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277186248 510955979 /nfs/dbraw/zinc/95/59/79/510955979.db2.gz LONNBFKSUJTQBL-WMZOPIPTSA-N 2 2 360.477 2.877 20 30 FFEDLP C=CCN(CCc1ccco1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000272356349 511491920 /nfs/dbraw/zinc/49/19/20/511491920.db2.gz PHSPBMVHGBEDTR-UHFFFAOYSA-N 2 2 374.529 2.578 20 30 FFEDLP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)CC1 ZINC000328973431 511959446 /nfs/dbraw/zinc/95/94/46/511959446.db2.gz VQDVPMSPMVHBNI-LJQANCHMSA-N 2 2 373.545 2.877 20 30 FFEDLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C[C@H]1n1cc[nH+]c1 ZINC000329156074 511994662 /nfs/dbraw/zinc/99/46/62/511994662.db2.gz BWSDMVYTKISNRD-BRWVUGGUSA-N 2 2 370.453 2.563 20 30 FFEDLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C[C@H]1n1cc[nH+]c1 ZINC000329156074 511994668 /nfs/dbraw/zinc/99/46/68/511994668.db2.gz BWSDMVYTKISNRD-BRWVUGGUSA-N 2 2 370.453 2.563 20 30 FFEDLP N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281994713 512040578 /nfs/dbraw/zinc/04/05/78/512040578.db2.gz IJRBVIDQZMEHRN-KRWDZBQOSA-N 2 2 363.465 2.909 20 30 FFEDLP N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281994713 512040585 /nfs/dbraw/zinc/04/05/85/512040585.db2.gz IJRBVIDQZMEHRN-KRWDZBQOSA-N 2 2 363.465 2.909 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000369647067 512531473 /nfs/dbraw/zinc/53/14/73/512531473.db2.gz JTEZPWNHGCSXIS-DYESRHJHSA-N 2 2 362.477 2.997 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000369647067 512531477 /nfs/dbraw/zinc/53/14/77/512531477.db2.gz JTEZPWNHGCSXIS-DYESRHJHSA-N 2 2 362.477 2.997 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(C)C ZINC000372282762 512794295 /nfs/dbraw/zinc/79/42/95/512794295.db2.gz SSLGLIKPDDKFSK-QZTJIDSGSA-N 2 2 359.518 2.618 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1)C(C)C ZINC000372282764 512794333 /nfs/dbraw/zinc/79/43/33/512794333.db2.gz SSLGLIKPDDKFSK-ZWKOTPCHSA-N 2 2 359.518 2.618 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)C(C)C ZINC000372282760 512794961 /nfs/dbraw/zinc/79/49/61/512794961.db2.gz SSLGLIKPDDKFSK-MSOLQXFVSA-N 2 2 359.518 2.618 20 30 FFEDLP C=CCn1c(C(C)C)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421267825 513189467 /nfs/dbraw/zinc/18/94/67/513189467.db2.gz WWUDLMSAFVZENR-UHFFFAOYSA-N 2 2 360.550 2.584 20 30 FFEDLP C=CCn1c(C(C)C)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421267825 513189472 /nfs/dbraw/zinc/18/94/72/513189472.db2.gz WWUDLMSAFVZENR-UHFFFAOYSA-N 2 2 360.550 2.584 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431616871 513945179 /nfs/dbraw/zinc/94/51/79/513945179.db2.gz JXONTOLOKFXPSA-XLIONFOSSA-N 2 2 364.449 2.870 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431616871 513945189 /nfs/dbraw/zinc/94/51/89/513945189.db2.gz JXONTOLOKFXPSA-XLIONFOSSA-N 2 2 364.449 2.870 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455672277 514673944 /nfs/dbraw/zinc/67/39/44/514673944.db2.gz ZUOAVBNAONXBIJ-UHFFFAOYSA-N 2 2 370.541 2.611 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455672277 514673951 /nfs/dbraw/zinc/67/39/51/514673951.db2.gz ZUOAVBNAONXBIJ-UHFFFAOYSA-N 2 2 370.541 2.611 20 30 FFEDLP CCC(CC)C[N@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000484918757 514843489 /nfs/dbraw/zinc/84/34/89/514843489.db2.gz BKGJTQIIKNHYBJ-UHFFFAOYSA-N 2 2 371.529 2.772 20 30 FFEDLP CCC(CC)C[N@@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000484918757 514843497 /nfs/dbraw/zinc/84/34/97/514843497.db2.gz BKGJTQIIKNHYBJ-UHFFFAOYSA-N 2 2 371.529 2.772 20 30 FFEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573715 516407445 /nfs/dbraw/zinc/40/74/45/516407445.db2.gz GKFUPCMYNSCMHW-UHFFFAOYSA-N 2 2 352.438 2.917 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2Br)CC1 ZINC000551529758 516748217 /nfs/dbraw/zinc/74/82/17/516748217.db2.gz ITGJVCZRYJVPJZ-UHFFFAOYSA-N 2 2 367.287 2.976 20 30 FFEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](CC4CC4)CC3)C2=O)cc1 ZINC000540953123 516795645 /nfs/dbraw/zinc/79/56/45/516795645.db2.gz MYIAEXLGVZQVNV-FQEVSTJZSA-N 2 2 352.482 2.518 20 30 FFEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(CC#N)CC2)CC1 ZINC000541023567 516833579 /nfs/dbraw/zinc/83/35/79/516833579.db2.gz BPMJUXPOJKKVQG-SFHVURJKSA-N 2 2 354.498 2.517 20 30 FFEDLP C[NH+]1CCC(CNC(=O)c2ccc(Cl)c(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000544627665 516842935 /nfs/dbraw/zinc/84/29/35/516842935.db2.gz MQYBTRDBYPXUIW-UHFFFAOYSA-N 2 2 374.916 2.892 20 30 FFEDLP N#CC1(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCCCC1 ZINC000541201480 516926527 /nfs/dbraw/zinc/92/65/27/516926527.db2.gz IKRADJBULMAYNU-UHFFFAOYSA-N 2 2 357.502 2.718 20 30 FFEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1F ZINC000515880142 517503489 /nfs/dbraw/zinc/50/34/89/517503489.db2.gz JOXJWZDQXWLCCL-UHFFFAOYSA-N 2 2 361.384 2.524 20 30 FFEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C#N ZINC000533760365 517600921 /nfs/dbraw/zinc/60/09/21/517600921.db2.gz FKGQLZORNADUSM-UZLBHIALSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C#N ZINC000533760365 517600928 /nfs/dbraw/zinc/60/09/28/517600928.db2.gz FKGQLZORNADUSM-UZLBHIALSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000533760365 517600934 /nfs/dbraw/zinc/60/09/34/517600934.db2.gz FKGQLZORNADUSM-UZLBHIALSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C#N ZINC000533760365 517600942 /nfs/dbraw/zinc/60/09/42/517600942.db2.gz FKGQLZORNADUSM-UZLBHIALSA-N 2 2 353.466 2.794 20 30 FFEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000527377195 517666239 /nfs/dbraw/zinc/66/62/39/517666239.db2.gz KLYVJRZXHGPGNR-HKUYNNGSSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000527377195 517666246 /nfs/dbraw/zinc/66/62/46/517666246.db2.gz KLYVJRZXHGPGNR-HKUYNNGSSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1Cc1ccccc1 ZINC000527377195 517666253 /nfs/dbraw/zinc/66/62/53/517666253.db2.gz KLYVJRZXHGPGNR-HKUYNNGSSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1Cc1ccccc1 ZINC000527377195 517666258 /nfs/dbraw/zinc/66/62/58/517666258.db2.gz KLYVJRZXHGPGNR-HKUYNNGSSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000527377198 517667512 /nfs/dbraw/zinc/66/75/12/517667512.db2.gz KLYVJRZXHGPGNR-PKOBYXMFSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000527377198 517667516 /nfs/dbraw/zinc/66/75/16/517667516.db2.gz KLYVJRZXHGPGNR-PKOBYXMFSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1Cc1ccccc1 ZINC000527377198 517667522 /nfs/dbraw/zinc/66/75/22/517667522.db2.gz KLYVJRZXHGPGNR-PKOBYXMFSA-N 2 2 354.498 2.534 20 30 FFEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1Cc1ccccc1 ZINC000527377198 517667527 /nfs/dbraw/zinc/66/75/27/517667527.db2.gz KLYVJRZXHGPGNR-PKOBYXMFSA-N 2 2 354.498 2.534 20 30 FFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000557517312 518048879 /nfs/dbraw/zinc/04/88/79/518048879.db2.gz IWQOQUDMZWCIJE-GGAORHGYSA-N 2 2 361.489 2.944 20 30 FFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000557517312 518048887 /nfs/dbraw/zinc/04/88/87/518048887.db2.gz IWQOQUDMZWCIJE-GGAORHGYSA-N 2 2 361.489 2.944 20 30 FFEDLP C=CCOc1ccccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000572647947 518292712 /nfs/dbraw/zinc/29/27/12/518292712.db2.gz IEEPLJJDAGUPLD-WCRBZPEASA-N 2 2 355.526 2.994 20 30 FFEDLP C=CCOc1ccccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000572647947 518292717 /nfs/dbraw/zinc/29/27/17/518292717.db2.gz IEEPLJJDAGUPLD-WCRBZPEASA-N 2 2 355.526 2.994 20 30 FFEDLP CC(C)[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@@H+]1CCc2ccccc2C1 ZINC000573090458 518504138 /nfs/dbraw/zinc/50/41/38/518504138.db2.gz JBROHNVEJSSVDJ-NRFANRHFSA-N 2 2 374.492 2.773 20 30 FFEDLP CC(C)[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)[N@H+]1CCc2ccccc2C1 ZINC000573090458 518504141 /nfs/dbraw/zinc/50/41/41/518504141.db2.gz JBROHNVEJSSVDJ-NRFANRHFSA-N 2 2 374.492 2.773 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000586788442 518642850 /nfs/dbraw/zinc/64/28/50/518642850.db2.gz WJAOAPVXUMCVPX-QGZVFWFLSA-N 2 2 360.502 2.764 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000586788442 518642857 /nfs/dbraw/zinc/64/28/57/518642857.db2.gz WJAOAPVXUMCVPX-QGZVFWFLSA-N 2 2 360.502 2.764 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000586788442 518642862 /nfs/dbraw/zinc/64/28/62/518642862.db2.gz WJAOAPVXUMCVPX-QGZVFWFLSA-N 2 2 360.502 2.764 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000586788442 518642867 /nfs/dbraw/zinc/64/28/67/518642867.db2.gz WJAOAPVXUMCVPX-QGZVFWFLSA-N 2 2 360.502 2.764 20 30 FFEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000583938084 519508554 /nfs/dbraw/zinc/50/85/54/519508554.db2.gz LQOYGKGBLJWLIN-JOCHJYFZSA-N 2 2 364.493 2.649 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000569375351 519519159 /nfs/dbraw/zinc/51/91/59/519519159.db2.gz OKBGTQWOABDHMZ-CHWSQXEVSA-N 2 2 369.494 2.658 20 30 FFEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000569375351 519519166 /nfs/dbraw/zinc/51/91/66/519519166.db2.gz OKBGTQWOABDHMZ-CHWSQXEVSA-N 2 2 369.494 2.658 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000584060854 519571220 /nfs/dbraw/zinc/57/12/20/519571220.db2.gz HKBVYRBNMUMIPZ-CQSZACIVSA-N 2 2 357.845 2.763 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000584060854 519571226 /nfs/dbraw/zinc/57/12/26/519571226.db2.gz HKBVYRBNMUMIPZ-CQSZACIVSA-N 2 2 357.845 2.763 20 30 FFEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911359 519965738 /nfs/dbraw/zinc/96/57/38/519965738.db2.gz YMEGKBTYEGIOGR-NRFANRHFSA-N 2 2 364.493 2.626 20 30 FFEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911359 519965746 /nfs/dbraw/zinc/96/57/46/519965746.db2.gz YMEGKBTYEGIOGR-NRFANRHFSA-N 2 2 364.493 2.626 20 30 FFEDLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602976938 520003736 /nfs/dbraw/zinc/00/37/36/520003736.db2.gz VNGCZNNOJOMVML-VQTJNVASSA-N 2 2 354.498 2.523 20 30 FFEDLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602976938 520003745 /nfs/dbraw/zinc/00/37/45/520003745.db2.gz VNGCZNNOJOMVML-VQTJNVASSA-N 2 2 354.498 2.523 20 30 FFEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000600720848 520422207 /nfs/dbraw/zinc/42/22/07/520422207.db2.gz IMYJSEXLDCQUGU-MJGOQNOKSA-N 2 2 359.514 2.777 20 30 FFEDLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598615665 520744373 /nfs/dbraw/zinc/74/43/73/520744373.db2.gz QXDHIHOVCDEZJZ-HOTGVXAUSA-N 2 2 362.543 2.730 20 30 FFEDLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598615665 520744380 /nfs/dbraw/zinc/74/43/80/520744380.db2.gz QXDHIHOVCDEZJZ-HOTGVXAUSA-N 2 2 362.543 2.730 20 30 FFEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnc(C#N)c1 ZINC000610994476 520935025 /nfs/dbraw/zinc/93/50/25/520935025.db2.gz IFMZPEHNHWXSSJ-UHFFFAOYSA-N 3 2 355.530 2.581 20 30 FFEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnc(C#N)c1 ZINC000610994476 520935033 /nfs/dbraw/zinc/93/50/33/520935033.db2.gz IFMZPEHNHWXSSJ-UHFFFAOYSA-N 3 2 355.530 2.581 20 30 FFEDLP Cc1cc(C)n2c(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)cnc2n1 ZINC000593693048 521160400 /nfs/dbraw/zinc/16/04/00/521160400.db2.gz MXSHKOWFMZICER-UHFFFAOYSA-N 2 2 374.492 2.972 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3-n3cncn3)CC2)c1 ZINC000593692767 521160475 /nfs/dbraw/zinc/16/04/75/521160475.db2.gz JVDGDWORTUWZFO-UHFFFAOYSA-N 2 2 372.476 2.893 20 30 FFEDLP CC(=O)NC1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593701988 521166163 /nfs/dbraw/zinc/16/61/63/521166163.db2.gz JOMKMQYWFLMEOV-UHFFFAOYSA-N 2 2 354.498 2.560 20 30 FFEDLP N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000593944572 521306789 /nfs/dbraw/zinc/30/67/89/521306789.db2.gz WWADYPLYJQYGIX-QGZVFWFLSA-N 2 2 355.442 2.653 20 30 FFEDLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602706310 521486917 /nfs/dbraw/zinc/48/69/17/521486917.db2.gz NSJUBQDNIHCDMG-OXQOHEQNSA-N 2 2 354.498 2.560 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638524070 730030684 /nfs/dbraw/zinc/03/06/84/730030684.db2.gz KJQKTGSXZKMSFH-UHFFFAOYSA-N 2 2 364.291 2.622 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876894776 732293465 /nfs/dbraw/zinc/29/34/65/732293465.db2.gz XJQDSNVVXILQEB-ZNMIVQPWSA-N 2 2 360.260 2.810 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876894776 732293467 /nfs/dbraw/zinc/29/34/67/732293467.db2.gz XJQDSNVVXILQEB-ZNMIVQPWSA-N 2 2 360.260 2.810 20 30 FFEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000928660736 738890449 /nfs/dbraw/zinc/89/04/49/738890449.db2.gz OMRPPGJFQOECNC-LJQANCHMSA-N 2 2 359.901 2.518 20 30 FFEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000928660736 738890453 /nfs/dbraw/zinc/89/04/53/738890453.db2.gz OMRPPGJFQOECNC-LJQANCHMSA-N 2 2 359.901 2.518 20 30 FFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008605096 742388421 /nfs/dbraw/zinc/38/84/21/742388421.db2.gz RQALLSNHEVUBHZ-OTWHNJEPSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001008605096 742388428 /nfs/dbraw/zinc/38/84/28/742388428.db2.gz RQALLSNHEVUBHZ-OTWHNJEPSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008605096 742388434 /nfs/dbraw/zinc/38/84/34/742388434.db2.gz RQALLSNHEVUBHZ-OTWHNJEPSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001008605096 742388439 /nfs/dbraw/zinc/38/84/39/742388439.db2.gz RQALLSNHEVUBHZ-OTWHNJEPSA-N 2 2 361.917 2.665 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960680766 1013449454 /nfs/dbraw/zinc/44/94/54/1013449454.db2.gz PBAJSOBAZRJADO-GUDVDZBRSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960680766 1013449457 /nfs/dbraw/zinc/44/94/57/1013449457.db2.gz PBAJSOBAZRJADO-GUDVDZBRSA-N 2 2 363.465 2.508 20 30 FFEDLP C=CCCn1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nn1 ZINC000657348876 966247080 /nfs/dbraw/zinc/24/70/80/966247080.db2.gz KNMWNEWVFIKCMV-INIZCTEOSA-N 2 2 372.492 2.596 20 30 FFEDLP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023374344 967751699 /nfs/dbraw/zinc/75/16/99/967751699.db2.gz NIPFDPNIZNCJSU-CEXWTWQISA-N 2 2 356.514 2.558 20 30 FFEDLP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001023374344 967751711 /nfs/dbraw/zinc/75/17/11/967751711.db2.gz NIPFDPNIZNCJSU-CEXWTWQISA-N 2 2 356.514 2.558 20 30 FFEDLP C=C(Br)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578747 968234371 /nfs/dbraw/zinc/23/43/71/968234371.db2.gz MIMVILOKVBULKX-CAOSSQGBSA-N 2 2 372.351 2.594 20 30 FFEDLP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578747 968234379 /nfs/dbraw/zinc/23/43/79/968234379.db2.gz MIMVILOKVBULKX-CAOSSQGBSA-N 2 2 372.351 2.594 20 30 FFEDLP C=C(Br)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578747 968234387 /nfs/dbraw/zinc/23/43/87/968234387.db2.gz MIMVILOKVBULKX-CAOSSQGBSA-N 2 2 372.351 2.594 20 30 FFEDLP C=C(Br)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578747 968234403 /nfs/dbraw/zinc/23/44/03/968234403.db2.gz MIMVILOKVBULKX-CAOSSQGBSA-N 2 2 372.351 2.594 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@@H]1CC ZINC001087607039 968340720 /nfs/dbraw/zinc/34/07/20/968340720.db2.gz HPDHTTTWVDKSEE-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)[C@@H]1CC ZINC001087607039 968340729 /nfs/dbraw/zinc/34/07/29/968340729.db2.gz HPDHTTTWVDKSEE-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H]1CC ZINC001087607039 968340738 /nfs/dbraw/zinc/34/07/38/968340738.db2.gz HPDHTTTWVDKSEE-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H]1CC ZINC001087607039 968340748 /nfs/dbraw/zinc/34/07/48/968340748.db2.gz HPDHTTTWVDKSEE-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087727255 968771517 /nfs/dbraw/zinc/77/15/17/968771517.db2.gz NMRVOODVLUPBKC-DAYGRLMNSA-N 2 2 359.917 2.921 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1CC ZINC001087727255 968771523 /nfs/dbraw/zinc/77/15/23/968771523.db2.gz NMRVOODVLUPBKC-DAYGRLMNSA-N 2 2 359.917 2.921 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727255 968771529 /nfs/dbraw/zinc/77/15/29/968771529.db2.gz NMRVOODVLUPBKC-DAYGRLMNSA-N 2 2 359.917 2.921 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727255 968771537 /nfs/dbraw/zinc/77/15/37/968771537.db2.gz NMRVOODVLUPBKC-DAYGRLMNSA-N 2 2 359.917 2.921 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NC[C@H]1CCc2ccccc21 ZINC000262527718 974163334 /nfs/dbraw/zinc/16/33/34/974163334.db2.gz OYZMVRBIBLBPTG-GOSISDBHSA-N 2 2 374.492 2.971 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001112532396 976066767 /nfs/dbraw/zinc/06/67/67/976066767.db2.gz YHGXYHRYUAVFCW-OOSNJVJTSA-N 2 2 356.514 2.708 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001088791946 976306231 /nfs/dbraw/zinc/30/62/31/976306231.db2.gz LTTWGYMOAYSIHY-PBHICJAKSA-N 2 2 360.527 2.573 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001088791946 976306243 /nfs/dbraw/zinc/30/62/43/976306243.db2.gz LTTWGYMOAYSIHY-PBHICJAKSA-N 2 2 360.527 2.573 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211713763 977390496 /nfs/dbraw/zinc/39/04/96/977390496.db2.gz SMTMWFIOBGQYOX-AZUAARDMSA-N 2 2 352.482 2.811 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC001076597778 979698688 /nfs/dbraw/zinc/69/86/88/979698688.db2.gz JTIWFZHQNYVGLG-FUHWJXTLSA-N 2 2 359.539 2.605 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCc4sccc4C3)[C@@H]2C1 ZINC001076597778 979698693 /nfs/dbraw/zinc/69/86/93/979698693.db2.gz JTIWFZHQNYVGLG-FUHWJXTLSA-N 2 2 359.539 2.605 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC001076597778 979698696 /nfs/dbraw/zinc/69/86/96/979698696.db2.gz JTIWFZHQNYVGLG-FUHWJXTLSA-N 2 2 359.539 2.605 20 30 FFEDLP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCc4sccc4C3)[C@@H]2C1 ZINC001076597778 979698716 /nfs/dbraw/zinc/69/87/16/979698716.db2.gz JTIWFZHQNYVGLG-FUHWJXTLSA-N 2 2 359.539 2.605 20 30 FFEDLP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000083032277 984041656 /nfs/dbraw/zinc/04/16/56/984041656.db2.gz JFOQXYWIWSIWKI-WMLDXEAASA-N 2 2 370.522 2.923 20 30 FFEDLP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@H+]1CCc2sccc2C1 ZINC000083032277 984041659 /nfs/dbraw/zinc/04/16/59/984041659.db2.gz JFOQXYWIWSIWKI-WMLDXEAASA-N 2 2 370.522 2.923 20 30 FFEDLP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000997093987 985126359 /nfs/dbraw/zinc/12/63/59/985126359.db2.gz NNSYEIQFAXEOER-QWFCFKBJSA-N 2 2 370.541 2.947 20 30 FFEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088898715 985373008 /nfs/dbraw/zinc/37/30/08/985373008.db2.gz RXIKEYMUUKMWNS-QMMLZNLJSA-N 2 2 368.525 2.900 20 30 FFEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088898715 985373022 /nfs/dbraw/zinc/37/30/22/985373022.db2.gz RXIKEYMUUKMWNS-QMMLZNLJSA-N 2 2 368.525 2.900 20 30 FFEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088898715 985373033 /nfs/dbraw/zinc/37/30/33/985373033.db2.gz RXIKEYMUUKMWNS-QMMLZNLJSA-N 2 2 368.525 2.900 20 30 FFEDLP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088898715 985373044 /nfs/dbraw/zinc/37/30/44/985373044.db2.gz RXIKEYMUUKMWNS-QMMLZNLJSA-N 2 2 368.525 2.900 20 30 FFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106340409 987984072 /nfs/dbraw/zinc/98/40/72/987984072.db2.gz WTVQAMDBUSITMM-CEXWTWQISA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CN(c3cccc[nH+]3)C[C@H]1C)CC2 ZINC001035707764 990530084 /nfs/dbraw/zinc/53/00/84/990530084.db2.gz MFLLUAVBRBWYCU-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001483985228 991302592 /nfs/dbraw/zinc/30/25/92/991302592.db2.gz PCVDGOCFTYQHCK-WOJBJXKFSA-N 2 2 366.509 2.940 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001483985228 991302604 /nfs/dbraw/zinc/30/26/04/991302604.db2.gz PCVDGOCFTYQHCK-WOJBJXKFSA-N 2 2 366.509 2.940 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001079207267 991884196 /nfs/dbraw/zinc/88/41/96/991884196.db2.gz XAJTUSJKATZQQW-DLBZAZTESA-N 2 2 356.445 2.597 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)cc1 ZINC001084487918 996607541 /nfs/dbraw/zinc/60/75/41/996607541.db2.gz DWLJKTJFSOBFBP-TZIWHRDSSA-N 2 2 371.444 2.552 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)c4ccn5c[nH+]cc5c4)[C@@H]3C2)cc1 ZINC001084487918 996607543 /nfs/dbraw/zinc/60/75/43/996607543.db2.gz DWLJKTJFSOBFBP-TZIWHRDSSA-N 2 2 371.444 2.552 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001085250504 999257333 /nfs/dbraw/zinc/25/73/33/999257333.db2.gz WSZJBUSCJODUKJ-RBSFLKMASA-N 2 2 350.894 2.593 20 30 FFEDLP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001085250504 999257334 /nfs/dbraw/zinc/25/73/34/999257334.db2.gz WSZJBUSCJODUKJ-RBSFLKMASA-N 2 2 350.894 2.593 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000903933114 1016312477 /nfs/dbraw/zinc/31/24/77/1016312477.db2.gz YPVBGHYZCNVIGT-UHFFFAOYSA-N 3 2 360.505 2.958 20 30 FFEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738949308 999636136 /nfs/dbraw/zinc/63/61/36/999636136.db2.gz MBQVRCQHJILQDZ-UHFFFAOYSA-N 2 2 362.437 2.802 20 30 FFEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741257576 999717032 /nfs/dbraw/zinc/71/70/32/999717032.db2.gz FNOPVVPNMOESBL-GCJKJVERSA-N 2 2 365.477 2.704 20 30 FFEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000741257576 999717033 /nfs/dbraw/zinc/71/70/33/999717033.db2.gz FNOPVVPNMOESBL-GCJKJVERSA-N 2 2 365.477 2.704 20 30 FFEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001096607842 1016345977 /nfs/dbraw/zinc/34/59/77/1016345977.db2.gz KGEGATVRUYDJEX-CLAROIROSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001096607842 1016345986 /nfs/dbraw/zinc/34/59/86/1016345986.db2.gz KGEGATVRUYDJEX-CLAROIROSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001096607842 1016345995 /nfs/dbraw/zinc/34/59/95/1016345995.db2.gz KGEGATVRUYDJEX-CLAROIROSA-N 2 2 365.521 2.634 20 30 FFEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001096607842 1016346007 /nfs/dbraw/zinc/34/60/07/1016346007.db2.gz KGEGATVRUYDJEX-CLAROIROSA-N 2 2 365.521 2.634 20 30 FFEDLP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171359543 1001354044 /nfs/dbraw/zinc/35/40/44/1001354044.db2.gz SHNKNQUPSPBTRC-KFKAGJAMSA-N 2 2 365.481 2.850 20 30 FFEDLP C[C@@H](CCCC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171359543 1001354046 /nfs/dbraw/zinc/35/40/46/1001354046.db2.gz SHNKNQUPSPBTRC-KFKAGJAMSA-N 2 2 365.481 2.850 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086595877 1002604741 /nfs/dbraw/zinc/60/47/41/1002604741.db2.gz ZCAHXWDLDZOJKH-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086595877 1002604746 /nfs/dbraw/zinc/60/47/46/1002604746.db2.gz ZCAHXWDLDZOJKH-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086596222 1002622020 /nfs/dbraw/zinc/62/20/20/1002622020.db2.gz QTRCVSQWFUVNQK-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086596222 1002622026 /nfs/dbraw/zinc/62/20/26/1002622026.db2.gz QTRCVSQWFUVNQK-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cc[nH+]c(CC#N)c3)cc2)CC1 ZINC001170496141 1004213077 /nfs/dbraw/zinc/21/30/77/1004213077.db2.gz MGVZCXIOZQIKRM-KLAILNCOSA-N 2 2 363.465 2.519 20 30 FFEDLP C#C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001198524561 1004646994 /nfs/dbraw/zinc/64/69/94/1004646994.db2.gz GTHWVCYBXAPUMW-IBGZPJMESA-N 2 2 357.523 2.662 20 30 FFEDLP C#C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001198524561 1004646997 /nfs/dbraw/zinc/64/69/97/1004646997.db2.gz GTHWVCYBXAPUMW-IBGZPJMESA-N 2 2 357.523 2.662 20 30 FFEDLP CCCCCCCC[N@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001201826407 1005276389 /nfs/dbraw/zinc/27/63/89/1005276389.db2.gz VVHASQLBFXORIQ-FQEVSTJZSA-N 2 2 361.578 2.923 20 30 FFEDLP CCCCCCCC[N@@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001201826407 1005276393 /nfs/dbraw/zinc/27/63/93/1005276393.db2.gz VVHASQLBFXORIQ-FQEVSTJZSA-N 2 2 361.578 2.923 20 30 FFEDLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001488953937 1005385145 /nfs/dbraw/zinc/38/51/45/1005385145.db2.gz OKXQGMZFPFCOSB-FUHWJXTLSA-N 2 2 370.884 2.532 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001188405133 1006566098 /nfs/dbraw/zinc/56/60/98/1006566098.db2.gz AHGHZGMZEMVNIU-QFBILLFUSA-N 2 2 360.502 2.629 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001188405133 1006566102 /nfs/dbraw/zinc/56/61/02/1006566102.db2.gz AHGHZGMZEMVNIU-QFBILLFUSA-N 2 2 360.502 2.629 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001189635367 1007172818 /nfs/dbraw/zinc/17/28/18/1007172818.db2.gz QWGONRIHFTVCEK-AZUAARDMSA-N 2 2 350.466 2.985 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001189635367 1007172824 /nfs/dbraw/zinc/17/28/24/1007172824.db2.gz QWGONRIHFTVCEK-AZUAARDMSA-N 2 2 350.466 2.985 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001110741292 1008322326 /nfs/dbraw/zinc/32/23/26/1008322326.db2.gz ZIDVTPBZQQUIBV-AQNXPRMDSA-N 2 2 371.500 2.629 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccc(F)cc1 ZINC001110741292 1008322330 /nfs/dbraw/zinc/32/23/30/1008322330.db2.gz ZIDVTPBZQQUIBV-AQNXPRMDSA-N 2 2 371.500 2.629 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(F)cc1 ZINC001110741292 1008322333 /nfs/dbraw/zinc/32/23/33/1008322333.db2.gz ZIDVTPBZQQUIBV-AQNXPRMDSA-N 2 2 371.500 2.629 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(F)cc1 ZINC001110741292 1008322337 /nfs/dbraw/zinc/32/23/37/1008322337.db2.gz ZIDVTPBZQQUIBV-AQNXPRMDSA-N 2 2 371.500 2.629 20 30 FFEDLP Cc1ccc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000863465370 1010217052 /nfs/dbraw/zinc/21/70/52/1010217052.db2.gz CQYACGWPKUKCGO-HXUWFJFHSA-N 2 2 364.449 2.766 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275072036 1011886135 /nfs/dbraw/zinc/88/61/35/1011886135.db2.gz LMQIOIHNQRKPNW-ANTGDGSKSA-N 2 2 364.493 2.862 20 30 FFEDLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172985309 1012153976 /nfs/dbraw/zinc/15/39/76/1012153976.db2.gz QKEWIMVQVRDSPM-IRXDYDNUSA-N 2 2 350.507 2.694 20 30 FFEDLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172985309 1012153988 /nfs/dbraw/zinc/15/39/88/1012153988.db2.gz QKEWIMVQVRDSPM-IRXDYDNUSA-N 2 2 350.507 2.694 20 30 FFEDLP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303772388 1012425540 /nfs/dbraw/zinc/42/55/40/1012425540.db2.gz DNLHIADWNANATJ-LJQANCHMSA-N 2 2 359.562 2.810 20 30 FFEDLP C=CCOC1CCC([NH+]2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC1 ZINC001173318683 1012467017 /nfs/dbraw/zinc/46/70/17/1012467017.db2.gz JKXLWJXHOYLJKZ-UHFFFAOYSA-N 2 2 371.525 2.610 20 30 FFEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173425856 1012578747 /nfs/dbraw/zinc/57/87/47/1012578747.db2.gz FPTGGDZGDIFMSP-SFHVURJKSA-N 2 2 368.525 2.873 20 30 FFEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173425855 1012578972 /nfs/dbraw/zinc/57/89/72/1012578972.db2.gz FPTGGDZGDIFMSP-GOSISDBHSA-N 2 2 368.525 2.873 20 30 FFEDLP CC1(C#N)CCC([NH+]2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC1 ZINC001173590704 1012761966 /nfs/dbraw/zinc/76/19/66/1012761966.db2.gz GKBGMNMPDLXHJI-UHFFFAOYSA-N 2 2 354.498 2.569 20 30 FFEDLP CCc1cccc(NC(=[NH2+])NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000304805975 1012882202 /nfs/dbraw/zinc/88/22/02/1012882202.db2.gz RSYWELVUEWWXRR-UHFFFAOYSA-N 3 2 357.546 2.926 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)CC1 ZINC001096233869 1019511036 /nfs/dbraw/zinc/51/10/36/1019511036.db2.gz HGRCCJIADZUUHP-MNEFBYGVSA-N 2 2 372.538 2.573 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)CC1 ZINC001096233869 1019511041 /nfs/dbraw/zinc/51/10/41/1019511041.db2.gz HGRCCJIADZUUHP-MNEFBYGVSA-N 2 2 372.538 2.573 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365665418 1019941221 /nfs/dbraw/zinc/94/12/21/1019941221.db2.gz PEYKLMMSALFXRM-MSOLQXFVSA-N 2 2 365.481 2.935 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365665418 1019941229 /nfs/dbraw/zinc/94/12/29/1019941229.db2.gz PEYKLMMSALFXRM-MSOLQXFVSA-N 2 2 365.481 2.935 20 30 FFEDLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCC#N)CC1 ZINC000931963134 1020648118 /nfs/dbraw/zinc/64/81/18/1020648118.db2.gz DQWJUDLFXSQLFN-HDICACEKSA-N 2 2 362.518 2.838 20 30 FFEDLP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCC#N)CC1 ZINC000931963134 1020648123 /nfs/dbraw/zinc/64/81/23/1020648123.db2.gz DQWJUDLFXSQLFN-HDICACEKSA-N 2 2 362.518 2.838 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001099105787 1021808692 /nfs/dbraw/zinc/80/86/92/1021808692.db2.gz HHHBXUAOJVSRCM-UWJYYQICSA-N 2 2 365.481 2.818 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001099105787 1021808707 /nfs/dbraw/zinc/80/87/07/1021808707.db2.gz HHHBXUAOJVSRCM-UWJYYQICSA-N 2 2 365.481 2.818 20 30 FFEDLP C[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])[NH+]1CCCCC1 ZINC000752718744 1023196461 /nfs/dbraw/zinc/19/64/61/1023196461.db2.gz MODCCSOKQMYZIB-HNNXBMFYSA-N 2 2 367.497 2.521 20 30 FFEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F ZINC001111298851 1023674242 /nfs/dbraw/zinc/67/42/42/1023674242.db2.gz UKJNSURDDQAJIF-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F ZINC001111298851 1023674252 /nfs/dbraw/zinc/67/42/52/1023674252.db2.gz UKJNSURDDQAJIF-RLLQIKCJSA-N 2 2 372.488 2.651 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001121683051 1023925273 /nfs/dbraw/zinc/92/52/73/1023925273.db2.gz ZWNPPQDDXTZGCZ-QGZVFWFLSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001121683051 1023925277 /nfs/dbraw/zinc/92/52/77/1023925277.db2.gz ZWNPPQDDXTZGCZ-QGZVFWFLSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC(CC)([NH+]2CCC2)CC1 ZINC001121716448 1023942880 /nfs/dbraw/zinc/94/28/80/1023942880.db2.gz LJUSVIKMLBFBPG-UHFFFAOYSA-N 2 2 358.534 2.515 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@]2(C)C1 ZINC001101277711 1024299835 /nfs/dbraw/zinc/29/98/35/1024299835.db2.gz UZXWFANVOORJSN-BLIXFSHQSA-N 2 2 357.498 2.768 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@]2(C)C1 ZINC001101277711 1024299846 /nfs/dbraw/zinc/29/98/46/1024299846.db2.gz UZXWFANVOORJSN-BLIXFSHQSA-N 2 2 357.498 2.768 20 30 FFEDLP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001095862390 1025114744 /nfs/dbraw/zinc/11/47/44/1025114744.db2.gz IUDSQEBQKMTEEW-JLSDUUJJSA-N 2 2 372.538 2.716 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760371 1028153633 /nfs/dbraw/zinc/15/36/33/1028153633.db2.gz KONRRPHHOJWACW-RLLQIKCJSA-N 2 2 358.530 2.725 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001103760371 1028153643 /nfs/dbraw/zinc/15/36/43/1028153643.db2.gz KONRRPHHOJWACW-RLLQIKCJSA-N 2 2 358.530 2.725 20 30 FFEDLP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001162934347 1028715291 /nfs/dbraw/zinc/71/52/91/1028715291.db2.gz BZRUMBIOBVTFFD-WOJBJXKFSA-N 2 2 366.509 2.761 20 30 FFEDLP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001164566986 1029322125 /nfs/dbraw/zinc/32/21/25/1029322125.db2.gz WUKJGIAFLADKSW-RTBURBONSA-N 2 2 370.541 2.996 20 30 FFEDLP N#Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)s1 ZINC001165593231 1030045685 /nfs/dbraw/zinc/04/56/85/1030045685.db2.gz GHLFBJYZTRKNNI-HZPDHXFCSA-N 2 2 369.494 2.523 20 30 FFEDLP N#Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)s1 ZINC001165593231 1030045686 /nfs/dbraw/zinc/04/56/86/1030045686.db2.gz GHLFBJYZTRKNNI-HZPDHXFCSA-N 2 2 369.494 2.523 20 30 FFEDLP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001112418381 1030778395 /nfs/dbraw/zinc/77/83/95/1030778395.db2.gz XBOLNFYKMULDAZ-ZJOUEHCJSA-N 2 2 356.514 2.712 20 30 FFEDLP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001112438867 1030810200 /nfs/dbraw/zinc/81/02/00/1030810200.db2.gz JQDUSLVNWKXQBT-LQWHRVPQSA-N 2 2 356.514 2.630 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cccc(F)c1 ZINC001205456404 1031761083 /nfs/dbraw/zinc/76/10/83/1031761083.db2.gz VBRVEANLQLIKQI-VQTJNVASSA-N 2 2 370.472 2.652 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205462723 1031765327 /nfs/dbraw/zinc/76/53/27/1031765327.db2.gz SYEUPMZFOOUFAG-RBUKOAKNSA-N 2 2 356.445 2.573 20 30 FFEDLP C#CC[C@]1(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)CCC[NH2+]1 ZINC001219716136 1033784540 /nfs/dbraw/zinc/78/45/40/1033784540.db2.gz BMWAQLTWALMUBP-XMMPIXPASA-N 2 2 373.500 2.722 20 30 FFEDLP C=CCN(CC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C(=O)OCC ZINC001209022754 1038637563 /nfs/dbraw/zinc/63/75/63/1038637563.db2.gz SWEJOMAFWSMQDI-WOJBJXKFSA-N 2 2 357.498 2.695 20 30 FFEDLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2Cc3ccccc3C#Cc3ccccc32)C[NH2+]1 ZINC001246332823 1039315981 /nfs/dbraw/zinc/31/59/81/1039315981.db2.gz JKAUQTQNRXWNTF-DYESRHJHSA-N 2 2 359.473 2.663 20 30 FFEDLP C=CCC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252598439 1039609852 /nfs/dbraw/zinc/60/98/52/1039609852.db2.gz NXDSHMWOYCWKBU-RBUKOAKNSA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@H](O)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252598439 1039609857 /nfs/dbraw/zinc/60/98/57/1039609857.db2.gz NXDSHMWOYCWKBU-RBUKOAKNSA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001252598439 1039609864 /nfs/dbraw/zinc/60/98/64/1039609864.db2.gz NXDSHMWOYCWKBU-RBUKOAKNSA-N 2 2 365.468 2.942 20 30 FFEDLP C=CCC[C@H](O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001252598439 1039609867 /nfs/dbraw/zinc/60/98/67/1039609867.db2.gz NXDSHMWOYCWKBU-RBUKOAKNSA-N 2 2 365.468 2.942 20 30 FFEDLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001253188058 1040031690 /nfs/dbraw/zinc/03/16/90/1040031690.db2.gz OHYSAPVNNQTPOP-INIZCTEOSA-N 2 2 365.905 2.758 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH2+][C@H]3CC[C@@H](C#N)C3)CC2)C1 ZINC001254649969 1040856616 /nfs/dbraw/zinc/85/66/16/1040856616.db2.gz WSSLNMOTNGULAO-NJAFHUGGSA-N 2 2 362.518 2.742 20 30 FFEDLP COC(=O)C1(C#N)CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255410036 1041326813 /nfs/dbraw/zinc/32/68/13/1041326813.db2.gz PUAOETRYSGHSCS-IBGZPJMESA-N 2 2 355.482 2.820 20 30 FFEDLP COC(=O)C1(C#N)CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255410036 1041326822 /nfs/dbraw/zinc/32/68/22/1041326822.db2.gz PUAOETRYSGHSCS-IBGZPJMESA-N 2 2 355.482 2.820 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001263287544 1042222862 /nfs/dbraw/zinc/22/28/62/1042222862.db2.gz LIEDOTNYMUOFIT-ZWKOTPCHSA-N 2 2 360.550 2.617 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001263287544 1042222867 /nfs/dbraw/zinc/22/28/67/1042222867.db2.gz LIEDOTNYMUOFIT-ZWKOTPCHSA-N 2 2 360.550 2.617 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001263902158 1042521271 /nfs/dbraw/zinc/52/12/71/1042521271.db2.gz WSCDRCKJOQTYBV-OKZBNKHCSA-N 2 2 358.530 2.991 20 30 FFEDLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(F)cc(C#N)cc1F)CC2 ZINC001279391773 1043046792 /nfs/dbraw/zinc/04/67/92/1043046792.db2.gz GVKHCZWPTNVRMQ-UHFFFAOYSA-N 2 2 362.468 2.686 20 30 FFEDLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1c(F)cc(C#N)cc1F)CC2 ZINC001279391773 1043046802 /nfs/dbraw/zinc/04/68/02/1043046802.db2.gz GVKHCZWPTNVRMQ-UHFFFAOYSA-N 2 2 362.468 2.686 20 30 FFEDLP COc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c(C#N)c1 ZINC001279405080 1043064601 /nfs/dbraw/zinc/06/46/01/1043064601.db2.gz JMWFUINCFVZRNF-UHFFFAOYSA-N 2 2 350.466 2.993 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](CC4(C)COC4)C3)C2)cc1C#N ZINC001279459607 1043139909 /nfs/dbraw/zinc/13/99/09/1043139909.db2.gz GVIKJZXRLQLNCQ-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](CC4(C)COC4)C3)C2)cc1C#N ZINC001279459607 1043139930 /nfs/dbraw/zinc/13/99/30/1043139930.db2.gz GVIKJZXRLQLNCQ-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](CC4(C)COC4)C3)C2)cc1C#N ZINC001279459607 1043139941 /nfs/dbraw/zinc/13/99/41/1043139941.db2.gz GVIKJZXRLQLNCQ-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](CC4(C)COC4)C3)C2)cc1C#N ZINC001279459607 1043139946 /nfs/dbraw/zinc/13/99/46/1043139946.db2.gz GVIKJZXRLQLNCQ-NRFANRHFSA-N 2 2 356.514 2.611 20 30 FFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)CC1 ZINC001279489521 1043174856 /nfs/dbraw/zinc/17/48/56/1043174856.db2.gz HRJNODOMEAEIMV-NJYVYQBISA-N 2 2 356.514 2.571 20 30 FFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CCn2cc[nH+]c2)CC1 ZINC001279489521 1043174859 /nfs/dbraw/zinc/17/48/59/1043174859.db2.gz HRJNODOMEAEIMV-NJYVYQBISA-N 2 2 356.514 2.571 20 30 FFEDLP Cn1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](CC(C)(C)CO)C3)C2)cc1C#N ZINC001280187609 1044373540 /nfs/dbraw/zinc/37/35/40/1044373540.db2.gz JWJPJKLKEDVABL-NRFANRHFSA-N 2 2 358.530 2.593 20 30 FFEDLP Cn1cc(C[N@H+]2CCC[C@]3(CCC[NH+](CC(C)(C)CO)C3)C2)cc1C#N ZINC001280187609 1044373555 /nfs/dbraw/zinc/37/35/55/1044373555.db2.gz JWJPJKLKEDVABL-NRFANRHFSA-N 2 2 358.530 2.593 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@H+](CC(C)(C)CO)C3)C2)cc1C#N ZINC001280187609 1044373571 /nfs/dbraw/zinc/37/35/71/1044373571.db2.gz JWJPJKLKEDVABL-NRFANRHFSA-N 2 2 358.530 2.593 20 30 FFEDLP Cn1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](CC(C)(C)CO)C3)C2)cc1C#N ZINC001280187609 1044373587 /nfs/dbraw/zinc/37/35/87/1044373587.db2.gz JWJPJKLKEDVABL-NRFANRHFSA-N 2 2 358.530 2.593 20 30 FFEDLP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C#N ZINC001319774791 1045268008 /nfs/dbraw/zinc/26/80/08/1045268008.db2.gz SVXNAMWXNFIYAG-HNNXBMFYSA-N 2 2 352.438 2.533 20 30 FFEDLP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C#N ZINC001319774791 1045268012 /nfs/dbraw/zinc/26/80/12/1045268012.db2.gz SVXNAMWXNFIYAG-HNNXBMFYSA-N 2 2 352.438 2.533 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001343772591 1052411515 /nfs/dbraw/zinc/41/15/15/1052411515.db2.gz WLENCURNWZSSJI-UHFFFAOYSA-N 2 2 360.550 2.807 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001338794873 1055821550 /nfs/dbraw/zinc/82/15/50/1055821550.db2.gz DYVIXEFEULCCJY-UHFFFAOYSA-N 2 2 372.561 2.905 20 30 FFEDLP C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001338794873 1055821558 /nfs/dbraw/zinc/82/15/58/1055821558.db2.gz DYVIXEFEULCCJY-UHFFFAOYSA-N 2 2 372.561 2.905 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001479423683 1062369770 /nfs/dbraw/zinc/36/97/70/1062369770.db2.gz AIYGCSSVZYZFHJ-YSIASYRMSA-N 2 2 352.482 2.995 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001479423683 1062369790 /nfs/dbraw/zinc/36/97/90/1062369790.db2.gz AIYGCSSVZYZFHJ-YSIASYRMSA-N 2 2 352.482 2.995 20 30 FFEDLP C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1 ZINC001574757643 1078079654 /nfs/dbraw/zinc/07/96/54/1078079654.db2.gz XBXIDOIWNNWUCF-LEWJYISDSA-N 2 2 365.452 2.952 20 30 FFEDLP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1 ZINC001574757643 1078079658 /nfs/dbraw/zinc/07/96/58/1078079658.db2.gz XBXIDOIWNNWUCF-LEWJYISDSA-N 2 2 365.452 2.952 20 30 FFEDLP C=C(C)CC[NH+]1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001473642208 1065306681 /nfs/dbraw/zinc/30/66/81/1065306681.db2.gz GFJTVOVBGVNDLM-UHFFFAOYSA-N 2 2 356.514 2.508 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001571043427 1077243774 /nfs/dbraw/zinc/24/37/74/1077243774.db2.gz CQBLDQYTJLUHET-RCCFBDPRSA-N 2 2 356.514 2.803 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001571043427 1077243777 /nfs/dbraw/zinc/24/37/77/1077243777.db2.gz CQBLDQYTJLUHET-RCCFBDPRSA-N 2 2 356.514 2.803 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)CCOc3cccc(C#N)c3)CCC[NH+]2C)cn1 ZINC000328626068 210115255 /nfs/dbraw/zinc/11/52/55/210115255.db2.gz DUNJRHZAVBDYJD-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCOc3cccc(C#N)c3)CCC[NH+]2C)cn1 ZINC000328626068 210115259 /nfs/dbraw/zinc/11/52/59/210115259.db2.gz DUNJRHZAVBDYJD-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CCOc3cccc(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000328626068 210115263 /nfs/dbraw/zinc/11/52/63/210115263.db2.gz DUNJRHZAVBDYJD-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CCOc3cccc(C#N)c3)CCC[N@H+]2C)cn1 ZINC000328626068 210115265 /nfs/dbraw/zinc/11/52/65/210115265.db2.gz DUNJRHZAVBDYJD-GHTZIAJQSA-N 2 2 367.497 2.685 20 30 FFEDLP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000331578605 258191439 /nfs/dbraw/zinc/19/14/39/258191439.db2.gz RANGOASGHSFBAH-VDGAXYAQSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000331578605 258191440 /nfs/dbraw/zinc/19/14/40/258191440.db2.gz RANGOASGHSFBAH-VDGAXYAQSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000331578605 258191441 /nfs/dbraw/zinc/19/14/41/258191441.db2.gz RANGOASGHSFBAH-VDGAXYAQSA-N 2 2 354.498 2.858 20 30 FFEDLP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C ZINC000331578605 258191442 /nfs/dbraw/zinc/19/14/42/258191442.db2.gz RANGOASGHSFBAH-VDGAXYAQSA-N 2 2 354.498 2.858 20 30 FFEDLP N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000066905430 506688859 /nfs/dbraw/zinc/68/88/59/506688859.db2.gz MEMLRIYWKBXIRI-OAQYLSRUSA-N 2 2 365.477 2.684 20 30 FFEDLP C[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129336717 508714518 /nfs/dbraw/zinc/71/45/18/508714518.db2.gz NHLPPVCPTJANAW-IMJJTQAJSA-N 2 2 355.467 2.505 20 30 FFEDLP C[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129336717 508714522 /nfs/dbraw/zinc/71/45/22/508714522.db2.gz NHLPPVCPTJANAW-IMJJTQAJSA-N 2 2 355.467 2.505 20 30 FFEDLP CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124849518 508894162 /nfs/dbraw/zinc/89/41/62/508894162.db2.gz QDUDWJYKHVTUGJ-SFTDATJTSA-N 2 2 368.525 2.967 20 30 FFEDLP CN(C(=O)c1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124849518 508894164 /nfs/dbraw/zinc/89/41/64/508894164.db2.gz QDUDWJYKHVTUGJ-SFTDATJTSA-N 2 2 368.525 2.967 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248201135 509258895 /nfs/dbraw/zinc/25/88/95/509258895.db2.gz YSVNIPUUFRYELZ-SFTDATJTSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248201135 509258903 /nfs/dbraw/zinc/25/89/03/509258903.db2.gz YSVNIPUUFRYELZ-SFTDATJTSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248201135 509258915 /nfs/dbraw/zinc/25/89/15/509258915.db2.gz YSVNIPUUFRYELZ-SFTDATJTSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248201135 509258919 /nfs/dbraw/zinc/25/89/19/509258919.db2.gz YSVNIPUUFRYELZ-SFTDATJTSA-N 2 2 368.525 2.735 20 30 FFEDLP COc1ccc(CCNC(=[NH2+])NCCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000264088016 509325015 /nfs/dbraw/zinc/32/50/15/509325015.db2.gz KDKRJABKYPMNNA-UHFFFAOYSA-N 2 2 351.454 2.651 20 30 FFEDLP N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)nc1 ZINC000237851329 509752224 /nfs/dbraw/zinc/75/22/24/509752224.db2.gz AVTFZNIFTOQOEI-UHFFFAOYSA-N 2 2 358.449 2.898 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000245879660 510183556 /nfs/dbraw/zinc/18/35/56/510183556.db2.gz NBJHPORVXLUMHL-HOCLYGCPSA-N 2 2 369.469 2.783 20 30 FFEDLP Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000245879660 510183558 /nfs/dbraw/zinc/18/35/58/510183558.db2.gz NBJHPORVXLUMHL-HOCLYGCPSA-N 2 2 369.469 2.783 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Nc2ccc(CC#N)cc2)([NH+]2CCCCC2)CC1 ZINC000174713746 510266514 /nfs/dbraw/zinc/26/65/14/510266514.db2.gz IYYUFAFIWLSWRV-UHFFFAOYSA-N 2 2 369.513 2.824 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccnc3-n3cccn3)CC2)cc1 ZINC000181473486 510429492 /nfs/dbraw/zinc/42/94/92/510429492.db2.gz OONGJKVUJBERFS-UHFFFAOYSA-N 2 2 372.476 2.893 20 30 FFEDLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181692829 510542866 /nfs/dbraw/zinc/54/28/66/510542866.db2.gz NJZRFGWEDVYZQG-KRWDZBQOSA-N 3 2 351.498 2.954 20 30 FFEDLP CCn1cc[nH+]c1CN(C(=O)c1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000263075222 510548263 /nfs/dbraw/zinc/54/82/63/510548263.db2.gz CHDZVJQJKGBUNL-SFHVURJKSA-N 2 2 363.465 2.559 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOC3CCOCC3)CC2)cc1 ZINC000181988494 510693392 /nfs/dbraw/zinc/69/33/92/510693392.db2.gz NQJMZNCMPSTTCE-UHFFFAOYSA-N 2 2 357.498 2.698 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(OC)c1 ZINC000266741600 510759071 /nfs/dbraw/zinc/75/90/71/510759071.db2.gz LYZUGPXXFCQPBB-GOSISDBHSA-N 2 2 371.481 2.766 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266751149 510765028 /nfs/dbraw/zinc/76/50/28/510765028.db2.gz NWTJYPQZLMYDTJ-MRXNPFEDSA-N 2 2 351.454 2.924 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247128871 510841683 /nfs/dbraw/zinc/84/16/83/510841683.db2.gz AQVGKGNDLJOHLJ-HLIPFELVSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247128871 510841686 /nfs/dbraw/zinc/84/16/86/510841686.db2.gz AQVGKGNDLJOHLJ-HLIPFELVSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247128871 510841687 /nfs/dbraw/zinc/84/16/87/510841687.db2.gz AQVGKGNDLJOHLJ-HLIPFELVSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247128871 510841689 /nfs/dbraw/zinc/84/16/89/510841689.db2.gz AQVGKGNDLJOHLJ-HLIPFELVSA-N 2 2 372.488 2.877 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247233993 510853514 /nfs/dbraw/zinc/85/35/14/510853514.db2.gz ZLABXXZJGUZFGM-VQTJNVASSA-N 2 2 355.482 2.824 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247233993 510853515 /nfs/dbraw/zinc/85/35/15/510853515.db2.gz ZLABXXZJGUZFGM-VQTJNVASSA-N 2 2 355.482 2.824 20 30 FFEDLP [O-]C(NCC1([NH+]2CCCCC2)CCCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330241210 510945236 /nfs/dbraw/zinc/94/52/36/510945236.db2.gz IYACDCMCVRXLTC-QGZVFWFLSA-N 2 2 359.518 2.890 20 30 FFEDLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330241210 510945239 /nfs/dbraw/zinc/94/52/39/510945239.db2.gz IYACDCMCVRXLTC-QGZVFWFLSA-N 2 2 359.518 2.890 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CC[NH+](CC(F)F)CC1)C(C)C ZINC000287571747 511053559 /nfs/dbraw/zinc/05/35/59/511053559.db2.gz NCBFPWLOYDPCRA-KRWDZBQOSA-N 2 2 357.489 2.778 20 30 FFEDLP C=C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000362677753 511215768 /nfs/dbraw/zinc/21/57/68/511215768.db2.gz UWCDUXGZYZUUDU-GHTZIAJQSA-N 2 2 355.526 2.973 20 30 FFEDLP C=C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000362677753 511215774 /nfs/dbraw/zinc/21/57/74/511215774.db2.gz UWCDUXGZYZUUDU-GHTZIAJQSA-N 2 2 355.526 2.973 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)c3ccc(F)cc3)CC2)cc1 ZINC000271890427 511361380 /nfs/dbraw/zinc/36/13/80/511361380.db2.gz RWQINAWIDCIWGQ-OAQYLSRUSA-N 2 2 353.441 2.985 20 30 FFEDLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000280870635 511636236 /nfs/dbraw/zinc/63/62/36/511636236.db2.gz ADLUZRCXCRQNPX-QUCCMNQESA-N 2 2 355.482 2.844 20 30 FFEDLP C[NH+](C)C1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCCCC1 ZINC000328732991 511922832 /nfs/dbraw/zinc/92/28/32/511922832.db2.gz JISMBNKLEDRIRA-UHFFFAOYSA-N 2 2 373.545 2.768 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000328769972 511929042 /nfs/dbraw/zinc/92/90/42/511929042.db2.gz ITPZANMXOKFSBG-KRWDZBQOSA-N 2 2 359.518 2.778 20 30 FFEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000328789620 511932163 /nfs/dbraw/zinc/93/21/63/511932163.db2.gz YHUIACJMEPDWLC-GOSISDBHSA-N 2 2 367.497 2.913 20 30 FFEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000328789620 511932168 /nfs/dbraw/zinc/93/21/68/511932168.db2.gz YHUIACJMEPDWLC-GOSISDBHSA-N 2 2 367.497 2.913 20 30 FFEDLP C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366308111 511950794 /nfs/dbraw/zinc/95/07/94/511950794.db2.gz HEGRUMSOPYAHFS-HXUWFJFHSA-N 2 2 370.541 2.943 20 30 FFEDLP C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366308111 511950799 /nfs/dbraw/zinc/95/07/99/511950799.db2.gz HEGRUMSOPYAHFS-HXUWFJFHSA-N 2 2 370.541 2.943 20 30 FFEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C)[C@H](C)[C@H]3C)n2)C1 ZINC000329120788 511987679 /nfs/dbraw/zinc/98/76/79/511987679.db2.gz QBURDWGWOOKPBN-RBSFLKMASA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C)[C@H](C)[C@H]3C)n2)C1 ZINC000329120788 511987685 /nfs/dbraw/zinc/98/76/85/511987685.db2.gz QBURDWGWOOKPBN-RBSFLKMASA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@H+](C)[C@H](C)[C@H]3C)n2)C1 ZINC000329120788 511987690 /nfs/dbraw/zinc/98/76/90/511987690.db2.gz QBURDWGWOOKPBN-RBSFLKMASA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CC[N@@H+](C)[C@H](C)[C@H]3C)n2)C1 ZINC000329120788 511987696 /nfs/dbraw/zinc/98/76/96/511987696.db2.gz QBURDWGWOOKPBN-RBSFLKMASA-N 2 2 365.547 2.945 20 30 FFEDLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329131621 511989738 /nfs/dbraw/zinc/98/97/38/511989738.db2.gz XXCLLMVDZFFZFB-KBPBESRZSA-N 2 2 351.520 2.699 20 30 FFEDLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329131621 511989742 /nfs/dbraw/zinc/98/97/42/511989742.db2.gz XXCLLMVDZFFZFB-KBPBESRZSA-N 2 2 351.520 2.699 20 30 FFEDLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC[N@@H+]1C ZINC000329820855 512101123 /nfs/dbraw/zinc/10/11/23/512101123.db2.gz POYCPDRJORVQOE-SJLPKXTDSA-N 2 2 359.518 2.948 20 30 FFEDLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC[N@H+]1C ZINC000329820855 512101125 /nfs/dbraw/zinc/10/11/25/512101125.db2.gz POYCPDRJORVQOE-SJLPKXTDSA-N 2 2 359.518 2.948 20 30 FFEDLP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000424446535 513149779 /nfs/dbraw/zinc/14/97/79/513149779.db2.gz RKCFKYWBWWGLJT-UHFFFAOYSA-N 2 2 363.465 2.675 20 30 FFEDLP N#CCCn1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000435131213 513519326 /nfs/dbraw/zinc/51/93/26/513519326.db2.gz BOEKVARMEUVNHH-UHFFFAOYSA-N 2 2 364.497 2.919 20 30 FFEDLP C=C(C)C[NH+]1CCC(Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447813987 513578876 /nfs/dbraw/zinc/57/88/76/513578876.db2.gz VJURWGOLPRDFEO-UHFFFAOYSA-N 2 2 374.485 2.879 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431610906 513943607 /nfs/dbraw/zinc/94/36/07/513943607.db2.gz RAQIUYJKDOHIGM-XBPCWFMRSA-N 2 2 370.497 2.854 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431610906 513943614 /nfs/dbraw/zinc/94/36/14/513943614.db2.gz RAQIUYJKDOHIGM-XBPCWFMRSA-N 2 2 370.497 2.854 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc(Cl)c(C)c3C#N)CC2)CC1 ZINC000420631104 514208428 /nfs/dbraw/zinc/20/84/28/514208428.db2.gz USGWODKSXNDOBW-UHFFFAOYSA-N 2 2 361.921 2.912 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc(Cl)c(C)c3C#N)CC2)CC1 ZINC000420631104 514208436 /nfs/dbraw/zinc/20/84/36/514208436.db2.gz USGWODKSXNDOBW-UHFFFAOYSA-N 2 2 361.921 2.912 20 30 FFEDLP C=CCC1(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000454443486 515494754 /nfs/dbraw/zinc/49/47/54/515494754.db2.gz CBMDKILMVAXVJL-UHFFFAOYSA-N 2 2 362.562 2.981 20 30 FFEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000558013657 516550505 /nfs/dbraw/zinc/55/05/05/516550505.db2.gz UVLMDVJWHSQYFV-KKSFZXQISA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000558013657 516550513 /nfs/dbraw/zinc/55/05/13/516550513.db2.gz UVLMDVJWHSQYFV-KKSFZXQISA-N 2 2 353.441 2.985 20 30 FFEDLP C=CC[N@@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CC1 ZINC000536742843 516916776 /nfs/dbraw/zinc/91/67/76/516916776.db2.gz BSBVYOWLTFVTBV-OAQYLSRUSA-N 2 2 371.525 2.989 20 30 FFEDLP C=CC[N@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CC1 ZINC000536742843 516916779 /nfs/dbraw/zinc/91/67/79/516916779.db2.gz BSBVYOWLTFVTBV-OAQYLSRUSA-N 2 2 371.525 2.989 20 30 FFEDLP C=C1CC[NH+](CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)CC1 ZINC000533281337 517381962 /nfs/dbraw/zinc/38/19/62/517381962.db2.gz QPSZPHVSDFHHSI-NRFANRHFSA-N 2 2 371.525 2.990 20 30 FFEDLP N#Cc1cccc(-n2ccc(C(=O)Nc3c[nH+]ccc3-n3cc[nH+]c3)n2)c1 ZINC000545977764 517469066 /nfs/dbraw/zinc/46/90/66/517469066.db2.gz DYYALELFLWTFSA-UHFFFAOYSA-N 2 2 355.361 2.577 20 30 FFEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000530230013 517639929 /nfs/dbraw/zinc/63/99/29/517639929.db2.gz CGXGJRMPVNVJTC-UIFIKXQLSA-N 2 2 365.477 2.723 20 30 FFEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000530230013 517639941 /nfs/dbraw/zinc/63/99/41/517639941.db2.gz CGXGJRMPVNVJTC-UIFIKXQLSA-N 2 2 365.477 2.723 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000553439064 517713976 /nfs/dbraw/zinc/71/39/76/517713976.db2.gz LLUVMCXXAGTZKU-NRFANRHFSA-N 2 2 369.509 2.840 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)Cc3ccco3)CC2)cc1 ZINC000539494755 518075163 /nfs/dbraw/zinc/07/51/63/518075163.db2.gz OQTLPACBMYRMQJ-IBGZPJMESA-N 2 2 353.466 2.556 20 30 FFEDLP CC1(C)C[NH+](CC#CC[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000581339142 518236226 /nfs/dbraw/zinc/23/62/26/518236226.db2.gz KWZWCAUUJSRJET-FGYAAKKASA-N 2 2 360.542 2.769 20 30 FFEDLP CC1(C)C[N@@H+](CC#CC[NH+]2CC(C)(C)[C@H]2[C@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000581339142 518236245 /nfs/dbraw/zinc/23/62/45/518236245.db2.gz KWZWCAUUJSRJET-FGYAAKKASA-N 2 2 360.542 2.769 20 30 FFEDLP CC1(C)C[N@H+](CC#CC[NH+]2CC(C)(C)[C@H]2[C@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000581339142 518236252 /nfs/dbraw/zinc/23/62/52/518236252.db2.gz KWZWCAUUJSRJET-FGYAAKKASA-N 2 2 360.542 2.769 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567888647 518767450 /nfs/dbraw/zinc/76/74/50/518767450.db2.gz MQCSRHNQCACSRS-UZLBHIALSA-N 2 2 360.465 2.601 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567888647 518767453 /nfs/dbraw/zinc/76/74/53/518767453.db2.gz MQCSRHNQCACSRS-UZLBHIALSA-N 2 2 360.465 2.601 20 30 FFEDLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2ccccc2)CC1 ZINC000571990832 519384168 /nfs/dbraw/zinc/38/41/68/519384168.db2.gz YHDZOUCJFUFBIQ-NRFANRHFSA-N 2 2 352.457 2.776 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000590855227 519404960 /nfs/dbraw/zinc/40/49/60/519404960.db2.gz KQDZJTJJQZFQJT-MOPGFXCFSA-N 2 2 359.518 2.928 20 30 FFEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)CC1 ZINC000580984342 519459388 /nfs/dbraw/zinc/45/93/88/519459388.db2.gz LNJNZGHGUIPMKC-QGZVFWFLSA-N 2 2 366.431 2.789 20 30 FFEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)CC1 ZINC000580984342 519459395 /nfs/dbraw/zinc/45/93/95/519459395.db2.gz LNJNZGHGUIPMKC-QGZVFWFLSA-N 2 2 366.431 2.789 20 30 FFEDLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594444702 519969127 /nfs/dbraw/zinc/96/91/27/519969127.db2.gz BTQPIGCUZJNCHI-YESZJQIVSA-N 2 2 366.868 2.752 20 30 FFEDLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594444702 519969134 /nfs/dbraw/zinc/96/91/34/519969134.db2.gz BTQPIGCUZJNCHI-YESZJQIVSA-N 2 2 366.868 2.752 20 30 FFEDLP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)CCC2 ZINC000609157673 520212579 /nfs/dbraw/zinc/21/25/79/520212579.db2.gz NUDCMPXFKOMLLB-AWEZNQCLSA-N 2 2 369.494 2.971 20 30 FFEDLP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](n3cc[nH+]c3)C1)CCC2 ZINC000609157673 520212586 /nfs/dbraw/zinc/21/25/86/520212586.db2.gz NUDCMPXFKOMLLB-AWEZNQCLSA-N 2 2 369.494 2.971 20 30 FFEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000600714389 520416063 /nfs/dbraw/zinc/41/60/63/520416063.db2.gz LSQBUPVFUBFTDE-RTWAWAEBSA-N 2 2 365.477 2.725 20 30 FFEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CCO2 ZINC000592528542 520441759 /nfs/dbraw/zinc/44/17/59/520441759.db2.gz SOVZTLBOBOFZQF-UHFFFAOYSA-N 2 2 353.388 2.874 20 30 FFEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)CCO2 ZINC000592528542 520441764 /nfs/dbraw/zinc/44/17/64/520441764.db2.gz SOVZTLBOBOFZQF-UHFFFAOYSA-N 2 2 353.388 2.874 20 30 FFEDLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598615668 520744295 /nfs/dbraw/zinc/74/42/95/520744295.db2.gz QXDHIHOVCDEZJZ-JKSUJKDBSA-N 2 2 362.543 2.730 20 30 FFEDLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598615668 520744301 /nfs/dbraw/zinc/74/43/01/520744301.db2.gz QXDHIHOVCDEZJZ-JKSUJKDBSA-N 2 2 362.543 2.730 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610945321 520915085 /nfs/dbraw/zinc/91/50/85/520915085.db2.gz XYTCIFFJIVFUER-AGYKMIKPSA-N 2 2 357.502 2.839 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610945321 520915088 /nfs/dbraw/zinc/91/50/88/520915088.db2.gz XYTCIFFJIVFUER-AGYKMIKPSA-N 2 2 357.502 2.839 20 30 FFEDLP Cc1cn2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2[nH+]1 ZINC000602142483 521169708 /nfs/dbraw/zinc/16/97/08/521169708.db2.gz KHVQWRMWWKAEDF-UHFFFAOYSA-N 2 2 373.460 2.931 20 30 FFEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(C#N)n1 ZINC000602482623 521371592 /nfs/dbraw/zinc/37/15/92/521371592.db2.gz OQJNQDJNPTZCGZ-UHFFFAOYSA-N 3 2 355.530 2.581 20 30 FFEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(C#N)n1 ZINC000602482623 521371597 /nfs/dbraw/zinc/37/15/97/521371597.db2.gz OQJNQDJNPTZCGZ-UHFFFAOYSA-N 3 2 355.530 2.581 20 30 FFEDLP C=CCC1([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000625936404 521792086 /nfs/dbraw/zinc/79/20/86/521792086.db2.gz KVSAJNQXQOORHD-UHFFFAOYSA-N 2 2 356.514 2.989 20 30 FFEDLP C=CCOc1c(Cl)cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1OC ZINC000623558429 522118718 /nfs/dbraw/zinc/11/87/18/522118718.db2.gz ZFRHSSVERINFDS-UHFFFAOYSA-N 2 2 368.905 2.850 20 30 FFEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1CCOc2ccccc21 ZINC000083033282 728409060 /nfs/dbraw/zinc/40/90/60/728409060.db2.gz MVCFGMQDEDNHKT-INIZCTEOSA-N 2 2 356.495 2.534 20 30 FFEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1CCOc2ccccc21 ZINC000083033282 728409063 /nfs/dbraw/zinc/40/90/63/728409063.db2.gz MVCFGMQDEDNHKT-INIZCTEOSA-N 2 2 356.495 2.534 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974588823 972025520 /nfs/dbraw/zinc/02/55/20/972025520.db2.gz AFGLHOZVBBUILA-KZNAEPCWSA-N 2 2 356.514 2.557 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C(C)(C)C1 ZINC000974588823 972025528 /nfs/dbraw/zinc/02/55/28/972025528.db2.gz AFGLHOZVBBUILA-KZNAEPCWSA-N 2 2 356.514 2.557 20 30 FFEDLP CC[NH+]=C(NCC[NH+]1CCCCCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261956229 964996864 /nfs/dbraw/zinc/99/68/64/964996864.db2.gz IVHVGVIRAGEMLU-RBUKOAKNSA-N 3 2 360.550 2.608 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)[C@@H]1CC ZINC001087607120 968342647 /nfs/dbraw/zinc/34/26/47/968342647.db2.gz MMSWFXJLNJJEBX-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)[C@@H]1CC ZINC001087607120 968342650 /nfs/dbraw/zinc/34/26/50/968342650.db2.gz MMSWFXJLNJJEBX-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1CC ZINC001087607120 968342656 /nfs/dbraw/zinc/34/26/56/968342656.db2.gz MMSWFXJLNJJEBX-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1CC ZINC001087607120 968342666 /nfs/dbraw/zinc/34/26/66/968342666.db2.gz MMSWFXJLNJJEBX-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001104664969 970050692 /nfs/dbraw/zinc/05/06/92/970050692.db2.gz DPMPBCSVZYWXSW-BPLDGKMQSA-N 2 2 350.894 2.656 20 30 FFEDLP C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665389881 970634601 /nfs/dbraw/zinc/63/46/01/970634601.db2.gz RBUNVMDYFWYWDN-YZGWKJHDSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665389881 970634612 /nfs/dbraw/zinc/63/46/12/970634612.db2.gz RBUNVMDYFWYWDN-YZGWKJHDSA-N 2 2 362.562 2.931 20 30 FFEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001088316360 979125921 /nfs/dbraw/zinc/12/59/21/979125921.db2.gz XOYQXYCFGRBLDI-GUDVDZBRSA-N 2 2 356.514 2.701 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)[C@@H]1C ZINC001088631571 982037887 /nfs/dbraw/zinc/03/78/87/982037887.db2.gz UESBKWUTYMYCSK-HOJAQTOUSA-N 2 2 357.542 2.633 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)[C@@H]1C ZINC001088631571 982037896 /nfs/dbraw/zinc/03/78/96/982037896.db2.gz UESBKWUTYMYCSK-HOJAQTOUSA-N 2 2 357.542 2.633 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)[C@@H]1C ZINC001088631571 982037903 /nfs/dbraw/zinc/03/79/03/982037903.db2.gz UESBKWUTYMYCSK-HOJAQTOUSA-N 2 2 357.542 2.633 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)[C@@H]1C ZINC001088631571 982037914 /nfs/dbraw/zinc/03/79/14/982037914.db2.gz UESBKWUTYMYCSK-HOJAQTOUSA-N 2 2 357.542 2.633 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001107454318 984559071 /nfs/dbraw/zinc/55/90/71/984559071.db2.gz BMFKTJQZUSUIBD-WAOWUJCRSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CCC[C@@H]12 ZINC001107454318 984559077 /nfs/dbraw/zinc/55/90/77/984559077.db2.gz BMFKTJQZUSUIBD-WAOWUJCRSA-N 2 2 356.514 2.773 20 30 FFEDLP CN(C)[C@@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000922755467 988878996 /nfs/dbraw/zinc/87/89/96/988878996.db2.gz VQNLTAGZDVWWOG-SFHVURJKSA-N 2 2 368.447 2.995 20 30 FFEDLP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035229015 990418095 /nfs/dbraw/zinc/41/80/95/990418095.db2.gz NFKSTILWEIAPTJ-QZTJIDSGSA-N 2 2 356.514 2.804 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035229015 990418096 /nfs/dbraw/zinc/41/80/96/990418096.db2.gz NFKSTILWEIAPTJ-QZTJIDSGSA-N 2 2 356.514 2.804 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089495186 990635581 /nfs/dbraw/zinc/63/55/81/990635581.db2.gz VAJYXSUUKIPNQO-BZUAXINKSA-N 2 2 364.921 2.883 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC(C)(C)C1 ZINC001089495186 990635586 /nfs/dbraw/zinc/63/55/86/990635586.db2.gz VAJYXSUUKIPNQO-BZUAXINKSA-N 2 2 364.921 2.883 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001079318713 991994154 /nfs/dbraw/zinc/99/41/54/991994154.db2.gz UNHUVWZEENBLKN-FUHWJXTLSA-N 2 2 370.472 2.987 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(CCC)cc2)C[C@H]1C ZINC001079878046 992520405 /nfs/dbraw/zinc/52/04/05/992520405.db2.gz CVUUXVHUFMUMIW-QIJUGHKUSA-N 2 2 367.537 2.673 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(CCC)cc2)C[C@H]1C ZINC001079878046 992520408 /nfs/dbraw/zinc/52/04/08/992520408.db2.gz CVUUXVHUFMUMIW-QIJUGHKUSA-N 2 2 367.537 2.673 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CCC)cc2)C[C@H]1C ZINC001079878046 992520419 /nfs/dbraw/zinc/52/04/19/992520419.db2.gz CVUUXVHUFMUMIW-QIJUGHKUSA-N 2 2 367.537 2.673 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(CCC)cc2)C[C@H]1C ZINC001079878046 992520428 /nfs/dbraw/zinc/52/04/28/992520428.db2.gz CVUUXVHUFMUMIW-QIJUGHKUSA-N 2 2 367.537 2.673 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001079878232 992521923 /nfs/dbraw/zinc/52/19/23/992521923.db2.gz NIVJGLBELXMIHE-QIJUGHKUSA-N 2 2 367.537 2.844 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001079878232 992521933 /nfs/dbraw/zinc/52/19/33/992521933.db2.gz NIVJGLBELXMIHE-QIJUGHKUSA-N 2 2 367.537 2.844 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001079878232 992521944 /nfs/dbraw/zinc/52/19/44/992521944.db2.gz NIVJGLBELXMIHE-QIJUGHKUSA-N 2 2 367.537 2.844 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001079878232 992521953 /nfs/dbraw/zinc/52/19/53/992521953.db2.gz NIVJGLBELXMIHE-QIJUGHKUSA-N 2 2 367.537 2.844 20 30 FFEDLP C#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000809602803 994557756 /nfs/dbraw/zinc/55/77/56/994557756.db2.gz ACDLQCGBVVQACB-UHFFFAOYSA-N 2 2 363.505 2.978 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479300 1015999916 /nfs/dbraw/zinc/99/99/16/1015999916.db2.gz IYPBIGUQZKBECC-UAFMIMERSA-N 2 2 368.525 2.795 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001049479300 1015999919 /nfs/dbraw/zinc/99/99/19/1015999919.db2.gz IYPBIGUQZKBECC-UAFMIMERSA-N 2 2 368.525 2.795 20 30 FFEDLP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2C1 ZINC001054282187 1016019682 /nfs/dbraw/zinc/01/96/82/1016019682.db2.gz UJZCOHBODIOVTR-RTBURBONSA-N 2 2 350.466 2.732 20 30 FFEDLP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)cc2C1 ZINC001054282187 1016019692 /nfs/dbraw/zinc/01/96/92/1016019692.db2.gz UJZCOHBODIOVTR-RTBURBONSA-N 2 2 350.466 2.732 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001085018565 998687321 /nfs/dbraw/zinc/68/73/21/998687321.db2.gz FSLTUGFMMBMDLP-ZBFHGGJFSA-N 2 2 351.878 2.630 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)C[C@@H]21 ZINC001085018565 998687324 /nfs/dbraw/zinc/68/73/24/998687324.db2.gz FSLTUGFMMBMDLP-ZBFHGGJFSA-N 2 2 351.878 2.630 20 30 FFEDLP N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984990 999938982 /nfs/dbraw/zinc/93/89/82/999938982.db2.gz WNCJJWDCTRRYIA-INIZCTEOSA-N 2 2 372.432 2.826 20 30 FFEDLP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1OC ZINC001198760029 1004732019 /nfs/dbraw/zinc/73/20/19/1004732019.db2.gz PTOHUGHEBBDALW-LMMKCTJWSA-N 2 2 368.481 2.935 20 30 FFEDLP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1OC ZINC001198760029 1004732026 /nfs/dbraw/zinc/73/20/26/1004732026.db2.gz PTOHUGHEBBDALW-LMMKCTJWSA-N 2 2 368.481 2.935 20 30 FFEDLP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1OC ZINC001198760387 1004732196 /nfs/dbraw/zinc/73/21/96/1004732196.db2.gz VCFHJVYFOHDOGT-LMMKCTJWSA-N 2 2 368.481 2.935 20 30 FFEDLP C#CC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001195463218 1004965325 /nfs/dbraw/zinc/96/53/25/1004965325.db2.gz JHMUAXOSRLNXLZ-FQEVSTJZSA-N 2 2 373.928 2.938 20 30 FFEDLP C=CC[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195649583 1005017012 /nfs/dbraw/zinc/01/70/12/1005017012.db2.gz JZSUNULYKPAOFM-QKLQHJQFSA-N 2 2 360.498 2.845 20 30 FFEDLP C=CC[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195649583 1005017017 /nfs/dbraw/zinc/01/70/17/1005017017.db2.gz JZSUNULYKPAOFM-QKLQHJQFSA-N 2 2 360.498 2.845 20 30 FFEDLP C=CC[C@@H](C(=O)OC)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195649583 1005017022 /nfs/dbraw/zinc/01/70/22/1005017022.db2.gz JZSUNULYKPAOFM-QKLQHJQFSA-N 2 2 360.498 2.845 20 30 FFEDLP C=CC[C@@H](C(=O)OC)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195649583 1005017027 /nfs/dbraw/zinc/01/70/27/1005017027.db2.gz JZSUNULYKPAOFM-QKLQHJQFSA-N 2 2 360.498 2.845 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@H+](C)C2CCCC2)CC1=O ZINC000105512377 1005106453 /nfs/dbraw/zinc/10/64/53/1005106453.db2.gz DSIDASPCCRKYBV-UHFFFAOYSA-N 2 2 367.497 2.521 20 30 FFEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[N@@H+](C)C2CCCC2)CC1=O ZINC000105512377 1005106454 /nfs/dbraw/zinc/10/64/54/1005106454.db2.gz DSIDASPCCRKYBV-UHFFFAOYSA-N 2 2 367.497 2.521 20 30 FFEDLP CN(C)c1ncc(/C=C2/CCC/C(=C/c3c[nH+]c(N(C)C)n3C)C2=O)n1C ZINC000821021534 1008404295 /nfs/dbraw/zinc/40/42/95/1008404295.db2.gz HHLHMZQOQCGSOX-HYQBVQLESA-N 2 2 368.485 2.506 20 30 FFEDLP CN(C)c1[nH+]cc(/C=C2/CCC/C(=C/c3c[nH+]c(N(C)C)n3C)C2=O)n1C ZINC000821021534 1008404297 /nfs/dbraw/zinc/40/42/97/1008404297.db2.gz HHLHMZQOQCGSOX-HYQBVQLESA-N 2 2 368.485 2.506 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001180169796 1009586737 /nfs/dbraw/zinc/58/67/37/1009586737.db2.gz JRDLUIPFVKDWSJ-UHFFFAOYSA-N 2 2 365.477 2.901 20 30 FFEDLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001110159186 1011266882 /nfs/dbraw/zinc/26/68/82/1011266882.db2.gz CSHXZRYNILZGPP-AABGKKOBSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001110159186 1011266894 /nfs/dbraw/zinc/26/68/94/1011266894.db2.gz CSHXZRYNILZGPP-AABGKKOBSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001110159186 1011266905 /nfs/dbraw/zinc/26/69/05/1011266905.db2.gz CSHXZRYNILZGPP-AABGKKOBSA-N 2 2 373.928 2.753 20 30 FFEDLP CC(C)[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001110159186 1011266916 /nfs/dbraw/zinc/26/69/16/1011266916.db2.gz CSHXZRYNILZGPP-AABGKKOBSA-N 2 2 373.928 2.753 20 30 FFEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC001094551731 1011275852 /nfs/dbraw/zinc/27/58/52/1011275852.db2.gz LYHSGLITVPJPTA-IFMALSPDSA-N 2 2 362.477 2.870 20 30 FFEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(-n4cc[nH+]c4)c3)CCC[C@@H]12 ZINC001094551731 1011275866 /nfs/dbraw/zinc/27/58/66/1011275866.db2.gz LYHSGLITVPJPTA-IFMALSPDSA-N 2 2 362.477 2.870 20 30 FFEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001097177552 1017149879 /nfs/dbraw/zinc/14/98/79/1017149879.db2.gz TZRUHRPFNZGHBO-CZYKHXBRSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001097177552 1017149886 /nfs/dbraw/zinc/14/98/86/1017149886.db2.gz TZRUHRPFNZGHBO-CZYKHXBRSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001097177552 1017149891 /nfs/dbraw/zinc/14/98/91/1017149891.db2.gz TZRUHRPFNZGHBO-CZYKHXBRSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001097177552 1017149900 /nfs/dbraw/zinc/14/99/00/1017149900.db2.gz TZRUHRPFNZGHBO-CZYKHXBRSA-N 2 2 365.521 2.634 20 30 FFEDLP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222142040 1032784806 /nfs/dbraw/zinc/78/48/06/1032784806.db2.gz VIQHWRNIIFRCOL-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(Cl)c(C#N)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222142040 1032784817 /nfs/dbraw/zinc/78/48/17/1032784817.db2.gz VIQHWRNIIFRCOL-LPHOPBHVSA-N 2 2 361.873 2.576 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309630 1020032825 /nfs/dbraw/zinc/03/28/25/1020032825.db2.gz VGZIDWIFWSDYIO-SQNIBIBYSA-N 2 2 351.922 2.582 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309630 1020032837 /nfs/dbraw/zinc/03/28/37/1020032837.db2.gz VGZIDWIFWSDYIO-SQNIBIBYSA-N 2 2 351.922 2.582 20 30 FFEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001098462800 1020931735 /nfs/dbraw/zinc/93/17/35/1020931735.db2.gz OFEHBARMLBDKCE-CGXNFDGLSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N ZINC001098462800 1020931736 /nfs/dbraw/zinc/93/17/36/1020931736.db2.gz OFEHBARMLBDKCE-CGXNFDGLSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N ZINC001098462800 1020931739 /nfs/dbraw/zinc/93/17/39/1020931739.db2.gz OFEHBARMLBDKCE-CGXNFDGLSA-N 2 2 366.509 2.654 20 30 FFEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N ZINC001098462800 1020931742 /nfs/dbraw/zinc/93/17/42/1020931742.db2.gz OFEHBARMLBDKCE-CGXNFDGLSA-N 2 2 366.509 2.654 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059453 1021688322 /nfs/dbraw/zinc/68/83/22/1021688322.db2.gz IZMXQDFXHBUFPP-AOIWGVFYSA-N 2 2 353.938 2.974 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099059453 1021688326 /nfs/dbraw/zinc/68/83/26/1021688326.db2.gz IZMXQDFXHBUFPP-AOIWGVFYSA-N 2 2 353.938 2.974 20 30 FFEDLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001095767738 1022776833 /nfs/dbraw/zinc/77/68/33/1022776833.db2.gz VERNIZFNNDXNQU-HJNYFJLDSA-N 2 2 370.456 2.721 20 30 FFEDLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC001095767738 1022776841 /nfs/dbraw/zinc/77/68/41/1022776841.db2.gz VERNIZFNNDXNQU-HJNYFJLDSA-N 2 2 370.456 2.721 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271396 1022900596 /nfs/dbraw/zinc/90/05/96/1022900596.db2.gz QESOSMQOJODBOJ-SMOSDQRPSA-N 2 2 365.481 2.957 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271396 1022900602 /nfs/dbraw/zinc/90/06/02/1022900602.db2.gz QESOSMQOJODBOJ-SMOSDQRPSA-N 2 2 365.481 2.957 20 30 FFEDLP C[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])[NH+]1CCCCC1 ZINC000752718745 1023196321 /nfs/dbraw/zinc/19/63/21/1023196321.db2.gz MODCCSOKQMYZIB-OAHLLOKOSA-N 2 2 367.497 2.521 20 30 FFEDLP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001121791151 1024026985 /nfs/dbraw/zinc/02/69/85/1024026985.db2.gz ISLQSRAWZKGYLF-JQBBBFBWSA-N 2 2 356.514 2.895 20 30 FFEDLP C[NH+]=C(NCCO[C@@H]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245585811 1025460237 /nfs/dbraw/zinc/46/02/37/1025460237.db2.gz DVIXMUXIGQBZFM-CADBVGFASA-N 2 2 361.534 2.937 20 30 FFEDLP C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160947222 1027937898 /nfs/dbraw/zinc/93/78/98/1027937898.db2.gz BMEUTQAWXPJBCP-IRNNPGBSSA-N 2 2 374.488 2.598 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001104217351 1028672331 /nfs/dbraw/zinc/67/23/31/1028672331.db2.gz LLFIWRMRONRHQA-QZTJIDSGSA-N 2 2 358.530 2.802 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001112130351 1030070798 /nfs/dbraw/zinc/07/07/98/1030070798.db2.gz OQDQPOTWWPPLQS-ZIAGYGMSSA-N 2 2 366.387 2.893 20 30 FFEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112141361 1030092121 /nfs/dbraw/zinc/09/21/21/1030092121.db2.gz XVYUJGDORMPXNW-RBSFLKMASA-N 2 2 358.408 2.607 20 30 FFEDLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001203901972 1030969567 /nfs/dbraw/zinc/96/95/67/1030969567.db2.gz URPAERXBXAKTRN-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001203901972 1030969578 /nfs/dbraw/zinc/96/95/78/1030969578.db2.gz URPAERXBXAKTRN-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001203901972 1030969589 /nfs/dbraw/zinc/96/95/89/1030969589.db2.gz URPAERXBXAKTRN-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001203901972 1030969601 /nfs/dbraw/zinc/96/96/01/1030969601.db2.gz URPAERXBXAKTRN-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1c1ccccc1F ZINC001205692436 1031941308 /nfs/dbraw/zinc/94/13/08/1031941308.db2.gz UMGBVIYILRJMFG-AZUAARDMSA-N 2 2 370.472 2.963 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC001138603842 1034457559 /nfs/dbraw/zinc/45/75/59/1034457559.db2.gz PTTOYIPHRRFWLA-UHFFFAOYSA-N 2 2 365.525 2.664 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1F ZINC001139528313 1035148428 /nfs/dbraw/zinc/14/84/28/1035148428.db2.gz NDRCYLFNOPYKPI-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1F ZINC001139528313 1035148431 /nfs/dbraw/zinc/14/84/31/1035148431.db2.gz NDRCYLFNOPYKPI-UHFFFAOYSA-N 2 2 367.472 2.938 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139877106 1035263795 /nfs/dbraw/zinc/26/37/95/1035263795.db2.gz YEASACZOTFYVBF-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139877106 1035263799 /nfs/dbraw/zinc/26/37/99/1035263799.db2.gz YEASACZOTFYVBF-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139877106 1035263802 /nfs/dbraw/zinc/26/38/02/1035263802.db2.gz YEASACZOTFYVBF-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139877106 1035263806 /nfs/dbraw/zinc/26/38/06/1035263806.db2.gz YEASACZOTFYVBF-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001229038168 1036470047 /nfs/dbraw/zinc/47/00/47/1036470047.db2.gz RBFCAXFLVVFHKB-NILFDRSVSA-N 2 2 369.307 2.514 20 30 FFEDLP CC#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001277547760 1037784335 /nfs/dbraw/zinc/78/43/35/1037784335.db2.gz KHPYUTPMHGAQOR-GUDVDZBRSA-N 2 2 350.466 2.764 20 30 FFEDLP CC#CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001277547760 1037784351 /nfs/dbraw/zinc/78/43/51/1037784351.db2.gz KHPYUTPMHGAQOR-GUDVDZBRSA-N 2 2 350.466 2.764 20 30 FFEDLP C=CCC[C@H](O)C[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001252603186 1039609922 /nfs/dbraw/zinc/60/99/22/1039609922.db2.gz OFDSIRVZMPDTCY-AWEZNQCLSA-N 2 2 350.260 2.823 20 30 FFEDLP Cc1cc(-c2noc([C@H]3Cn4cc[nH+]c4C34CC[NH2+]CC4)n2)ccc1C#N ZINC001247129235 1039623309 /nfs/dbraw/zinc/62/33/09/1039623309.db2.gz ZKKPXBRCHRJCHN-MRXNPFEDSA-N 2 2 360.421 2.532 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+]1CCCC1 ZINC001211374977 1040119164 /nfs/dbraw/zinc/11/91/64/1040119164.db2.gz UZHMJVZSKCRQSW-UIFIKXQLSA-N 2 2 368.525 2.615 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1C)[NH+]1CCCC1 ZINC001211374977 1040119171 /nfs/dbraw/zinc/11/91/71/1040119171.db2.gz UZHMJVZSKCRQSW-UIFIKXQLSA-N 2 2 368.525 2.615 20 30 FFEDLP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+]([C@H]4CC[C@@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664456 1040863293 /nfs/dbraw/zinc/86/32/93/1040863293.db2.gz HWYYOHURJHOBEF-ZAWLATJESA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+]([C@H]4CC[C@@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664456 1040863303 /nfs/dbraw/zinc/86/33/03/1040863303.db2.gz HWYYOHURJHOBEF-ZAWLATJESA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+]([C@H]4CC[C@@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664456 1040863313 /nfs/dbraw/zinc/86/33/13/1040863313.db2.gz HWYYOHURJHOBEF-ZAWLATJESA-N 2 2 360.527 2.667 20 30 FFEDLP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+]([C@H]4CC[C@@H](C#N)C4)CC[C@@H]3C2)cs1 ZINC001254664456 1040863325 /nfs/dbraw/zinc/86/33/25/1040863325.db2.gz HWYYOHURJHOBEF-ZAWLATJESA-N 2 2 360.527 2.667 20 30 FFEDLP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)c(C#N)c(F)c3)(C1)CCC2 ZINC001279312432 1042995475 /nfs/dbraw/zinc/99/54/75/1042995475.db2.gz JHFZASBUWJXIPY-VQTJNVASSA-N 2 2 362.468 2.923 20 30 FFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)CC1 ZINC001279489520 1043174799 /nfs/dbraw/zinc/17/47/99/1043174799.db2.gz HRJNODOMEAEIMV-HKBOAZHASA-N 2 2 356.514 2.571 20 30 FFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3OCCN(CCn4cc[nH+]c4)[C@H]3C2)CC1 ZINC001279489520 1043174805 /nfs/dbraw/zinc/17/48/05/1043174805.db2.gz HRJNODOMEAEIMV-HKBOAZHASA-N 2 2 356.514 2.571 20 30 FFEDLP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3cccc(C#N)c3F)CC2)C1 ZINC001279761984 1043603240 /nfs/dbraw/zinc/60/32/40/1043603240.db2.gz ICLFVSRCGJUUME-UHFFFAOYSA-N 2 2 358.505 2.937 20 30 FFEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001316662303 1050171218 /nfs/dbraw/zinc/17/12/18/1050171218.db2.gz MDLUVSSFHCZYEL-AYOQOUSVSA-N 2 2 365.481 2.535 20 30 FFEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001316662303 1050171224 /nfs/dbraw/zinc/17/12/24/1050171224.db2.gz MDLUVSSFHCZYEL-AYOQOUSVSA-N 2 2 365.481 2.535 20 30 FFEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001303557387 1051387198 /nfs/dbraw/zinc/38/71/98/1051387198.db2.gz CZNAWXNCVMMWSZ-DENIHFKCSA-N 2 2 367.537 2.543 20 30 FFEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001303557387 1051387205 /nfs/dbraw/zinc/38/72/05/1051387205.db2.gz CZNAWXNCVMMWSZ-DENIHFKCSA-N 2 2 367.537 2.543 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001346188009 1052781524 /nfs/dbraw/zinc/78/15/24/1052781524.db2.gz NYBCFIMHZYLQSM-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(CC)([NH+](C)C)CC1 ZINC001346188009 1052781528 /nfs/dbraw/zinc/78/15/28/1052781528.db2.gz NYBCFIMHZYLQSM-QGZVFWFLSA-N 2 2 360.550 2.932 20 30 FFEDLP C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001339580418 1056606022 /nfs/dbraw/zinc/60/60/22/1056606022.db2.gz GKJNVCNEHNRQSO-PKOBYXMFSA-N 2 2 372.561 2.584 20 30 FFEDLP C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001339580418 1056606025 /nfs/dbraw/zinc/60/60/25/1056606025.db2.gz GKJNVCNEHNRQSO-PKOBYXMFSA-N 2 2 372.561 2.584 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001515298222 1059516122 /nfs/dbraw/zinc/51/61/22/1059516122.db2.gz XUISKPUXPAGKTQ-MJGOQNOKSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001515298222 1059516134 /nfs/dbraw/zinc/51/61/34/1059516134.db2.gz XUISKPUXPAGKTQ-MJGOQNOKSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001515298222 1059516155 /nfs/dbraw/zinc/51/61/55/1059516155.db2.gz XUISKPUXPAGKTQ-MJGOQNOKSA-N 2 2 372.561 2.932 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001515298222 1059516170 /nfs/dbraw/zinc/51/61/70/1059516170.db2.gz XUISKPUXPAGKTQ-MJGOQNOKSA-N 2 2 372.561 2.932 20 30 FFEDLP C[C@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001506926437 1059578472 /nfs/dbraw/zinc/57/84/72/1059578472.db2.gz HFXPLVOBPKALMU-KBRIMQKVSA-N 2 2 369.444 2.599 20 30 FFEDLP C[C@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001506926437 1059578491 /nfs/dbraw/zinc/57/84/91/1059578491.db2.gz HFXPLVOBPKALMU-KBRIMQKVSA-N 2 2 369.444 2.599 20 30 FFEDLP C=C1CCC(CNC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC001479255683 1062300658 /nfs/dbraw/zinc/30/06/58/1062300658.db2.gz CKMYVMJIJZQHDE-UHFFFAOYSA-N 2 2 362.562 2.934 20 30 FFEDLP C=C1CCC(CNC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC001479255683 1062300685 /nfs/dbraw/zinc/30/06/85/1062300685.db2.gz CKMYVMJIJZQHDE-UHFFFAOYSA-N 2 2 362.562 2.934 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])C3CCCCCC3)CC2)cc1 ZINC001580065938 1078743146 /nfs/dbraw/zinc/74/31/46/1078743146.db2.gz UXNQAVKDPUKFCQ-FQEVSTJZSA-N 2 2 354.498 2.500 20 30 FFEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC001560234995 1076253894 /nfs/dbraw/zinc/25/38/94/1076253894.db2.gz WDXWSSIQUBINQR-ZWKOTPCHSA-N 2 2 374.529 2.889 20 30 FFEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC001560234995 1076253898 /nfs/dbraw/zinc/25/38/98/1076253898.db2.gz WDXWSSIQUBINQR-ZWKOTPCHSA-N 2 2 374.529 2.889 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001565885023 1076780624 /nfs/dbraw/zinc/78/06/24/1076780624.db2.gz JVMHQVVKIAHYQR-LEWJYISDSA-N 2 2 366.509 2.903 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001565885023 1076780625 /nfs/dbraw/zinc/78/06/25/1076780625.db2.gz JVMHQVVKIAHYQR-LEWJYISDSA-N 2 2 366.509 2.903 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](CC#N)c3ccccc3)CC2)CC1 ZINC001570442310 1077206561 /nfs/dbraw/zinc/20/65/61/1077206561.db2.gz OHMDEWSIOCNTOL-NRFANRHFSA-N 2 2 368.525 2.702 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](CC#N)c3ccccc3)CC2)CC1 ZINC001570442310 1077206563 /nfs/dbraw/zinc/20/65/63/1077206563.db2.gz OHMDEWSIOCNTOL-NRFANRHFSA-N 2 2 368.525 2.702 20 30 FFEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(Br)cc2C#N)CC1 ZINC000272863900 252150082 /nfs/dbraw/zinc/15/00/82/252150082.db2.gz QWFDPULJXQGBLH-UHFFFAOYSA-N 2 2 351.292 2.759 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000079440452 507962318 /nfs/dbraw/zinc/96/23/18/507962318.db2.gz RAPIRQXZRJVPGD-LJQANCHMSA-N 2 2 371.529 2.612 20 30 FFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)[C@H](C)C1 ZINC000081095123 508137088 /nfs/dbraw/zinc/13/70/88/508137088.db2.gz XWKLCHSPHLNEGM-WBVHZDCISA-N 2 2 360.527 2.903 20 30 FFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)[C@H](C)C1 ZINC000081095123 508137091 /nfs/dbraw/zinc/13/70/91/508137091.db2.gz XWKLCHSPHLNEGM-WBVHZDCISA-N 2 2 360.527 2.903 20 30 FFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)[C@H](C)C1 ZINC000081095123 508137094 /nfs/dbraw/zinc/13/70/94/508137094.db2.gz XWKLCHSPHLNEGM-WBVHZDCISA-N 2 2 360.527 2.903 20 30 FFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)[C@H](C)C1 ZINC000081095123 508137097 /nfs/dbraw/zinc/13/70/97/508137097.db2.gz XWKLCHSPHLNEGM-WBVHZDCISA-N 2 2 360.527 2.903 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C(N)=O)cc1 ZINC000115598750 508416428 /nfs/dbraw/zinc/41/64/28/508416428.db2.gz AKWVJJPNYPUNQP-LPHOPBHVSA-N 2 2 368.506 2.648 20 30 FFEDLP N#Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C(N)=O)cc1 ZINC000115598750 508416433 /nfs/dbraw/zinc/41/64/33/508416433.db2.gz AKWVJJPNYPUNQP-LPHOPBHVSA-N 2 2 368.506 2.648 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152482832 508454864 /nfs/dbraw/zinc/45/48/64/508454864.db2.gz NUWGILAUXYEINW-GOSISDBHSA-N 2 2 372.513 2.606 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152482832 508454868 /nfs/dbraw/zinc/45/48/68/508454868.db2.gz NUWGILAUXYEINW-GOSISDBHSA-N 2 2 372.513 2.606 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152482832 508454871 /nfs/dbraw/zinc/45/48/71/508454871.db2.gz NUWGILAUXYEINW-GOSISDBHSA-N 2 2 372.513 2.606 20 30 FFEDLP CCOc1ccc(N(CCC#N)C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152482832 508454876 /nfs/dbraw/zinc/45/48/76/508454876.db2.gz NUWGILAUXYEINW-GOSISDBHSA-N 2 2 372.513 2.606 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000158772050 508750407 /nfs/dbraw/zinc/75/04/07/508750407.db2.gz FOFZHWSEDVKMHK-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000158772050 508750411 /nfs/dbraw/zinc/75/04/11/508750411.db2.gz FOFZHWSEDVKMHK-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000158772050 508750417 /nfs/dbraw/zinc/75/04/17/508750417.db2.gz FOFZHWSEDVKMHK-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1C ZINC000158772050 508750421 /nfs/dbraw/zinc/75/04/21/508750421.db2.gz FOFZHWSEDVKMHK-TZIWHRDSSA-N 2 2 368.525 2.966 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151257188 508988189 /nfs/dbraw/zinc/98/81/89/508988189.db2.gz ONPZGVCSNCIABJ-IDYZSHNDSA-N 2 2 369.513 2.523 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000373637297 512436461 /nfs/dbraw/zinc/43/64/61/512436461.db2.gz KNDWIKVNXMDWNY-UHFFFAOYSA-N 2 2 353.470 2.744 20 30 FFEDLP C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173978084 509886311 /nfs/dbraw/zinc/88/63/11/509886311.db2.gz KDCCGEYOZRJOGY-HXUWFJFHSA-N 2 2 362.477 2.951 20 30 FFEDLP C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173978084 509886321 /nfs/dbraw/zinc/88/63/21/509886321.db2.gz KDCCGEYOZRJOGY-HXUWFJFHSA-N 2 2 362.477 2.951 20 30 FFEDLP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173978084 509886329 /nfs/dbraw/zinc/88/63/29/509886329.db2.gz KDCCGEYOZRJOGY-HXUWFJFHSA-N 2 2 362.477 2.951 20 30 FFEDLP C[NH+](CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173978084 509886334 /nfs/dbraw/zinc/88/63/34/509886334.db2.gz KDCCGEYOZRJOGY-HXUWFJFHSA-N 2 2 362.477 2.951 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000187026571 510015103 /nfs/dbraw/zinc/01/51/03/510015103.db2.gz IVCPGRMMDIXZMP-ZIFCJYIRSA-N 2 2 372.513 2.612 20 30 FFEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000187026571 510015108 /nfs/dbraw/zinc/01/51/08/510015108.db2.gz IVCPGRMMDIXZMP-ZIFCJYIRSA-N 2 2 372.513 2.612 20 30 FFEDLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245606383 510035395 /nfs/dbraw/zinc/03/53/95/510035395.db2.gz NHLPPVCPTJANAW-KBMXLJTQSA-N 2 2 355.467 2.505 20 30 FFEDLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245606383 510035401 /nfs/dbraw/zinc/03/54/01/510035401.db2.gz NHLPPVCPTJANAW-KBMXLJTQSA-N 2 2 355.467 2.505 20 30 FFEDLP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261960571 510129101 /nfs/dbraw/zinc/12/91/01/510129101.db2.gz KBYXLIZNYDNLJE-ZIFCJYIRSA-N 2 2 367.497 2.908 20 30 FFEDLP N#Cc1csc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000177690921 510201926 /nfs/dbraw/zinc/20/19/26/510201926.db2.gz OXMXCCTYDYRLGJ-UHFFFAOYSA-N 2 2 357.479 2.621 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246084270 510281650 /nfs/dbraw/zinc/28/16/50/510281650.db2.gz FBDODOWLPGJVGS-IRXDYDNUSA-N 2 2 355.486 2.547 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246084270 510281659 /nfs/dbraw/zinc/28/16/59/510281659.db2.gz FBDODOWLPGJVGS-IRXDYDNUSA-N 2 2 355.486 2.547 20 30 FFEDLP C=CCCC[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000181390049 510386714 /nfs/dbraw/zinc/38/67/14/510386714.db2.gz AOKFRTVZWBIGMR-GOSISDBHSA-N 2 2 350.551 2.981 20 30 FFEDLP C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)c1ccc(F)c(F)c1 ZINC000187775257 510429021 /nfs/dbraw/zinc/42/90/21/510429021.db2.gz VHGUPNHZFYKCKT-KBXCAEBGSA-N 2 2 351.441 2.724 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246795072 510678252 /nfs/dbraw/zinc/67/82/52/510678252.db2.gz HZQWLASENRUZJL-IRXDYDNUSA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246795072 510678257 /nfs/dbraw/zinc/67/82/57/510678257.db2.gz HZQWLASENRUZJL-IRXDYDNUSA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246795072 510678261 /nfs/dbraw/zinc/67/82/61/510678261.db2.gz HZQWLASENRUZJL-IRXDYDNUSA-N 2 2 360.477 2.734 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246795072 510678264 /nfs/dbraw/zinc/67/82/64/510678264.db2.gz HZQWLASENRUZJL-IRXDYDNUSA-N 2 2 360.477 2.734 20 30 FFEDLP C[N@H+](CC#Cc1ccc(F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276641 510683234 /nfs/dbraw/zinc/68/32/34/510683234.db2.gz SOXYSCDMOXKDCZ-JOCHJYFZSA-N 2 2 352.453 2.746 20 30 FFEDLP C[N@@H+](CC#Cc1ccc(F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188276641 510683241 /nfs/dbraw/zinc/68/32/41/510683241.db2.gz SOXYSCDMOXKDCZ-JOCHJYFZSA-N 2 2 352.453 2.746 20 30 FFEDLP C[NH+](CC#Cc1ccc(F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188276641 510683251 /nfs/dbraw/zinc/68/32/51/510683251.db2.gz SOXYSCDMOXKDCZ-JOCHJYFZSA-N 2 2 352.453 2.746 20 30 FFEDLP C[NH+](CC#Cc1ccc(F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188276641 510683256 /nfs/dbraw/zinc/68/32/56/510683256.db2.gz SOXYSCDMOXKDCZ-JOCHJYFZSA-N 2 2 352.453 2.746 20 30 FFEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000271226754 511129469 /nfs/dbraw/zinc/12/94/69/511129469.db2.gz RJSIISZJONANGQ-UHFFFAOYSA-N 2 2 365.437 2.893 20 30 FFEDLP C=CCNC(=O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365510447 511494409 /nfs/dbraw/zinc/49/44/09/511494409.db2.gz STMIHVZIABBWDX-UHFFFAOYSA-N 2 2 359.518 2.501 20 30 FFEDLP C=CCNC(=O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365510447 511494413 /nfs/dbraw/zinc/49/44/13/511494413.db2.gz STMIHVZIABBWDX-UHFFFAOYSA-N 2 2 359.518 2.501 20 30 FFEDLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000312862759 511787623 /nfs/dbraw/zinc/78/76/23/511787623.db2.gz ZXDZRBMAIMTTNU-AGHHOFFYSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000312862759 511787626 /nfs/dbraw/zinc/78/76/26/511787626.db2.gz ZXDZRBMAIMTTNU-AGHHOFFYSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000312862760 511787725 /nfs/dbraw/zinc/78/77/25/511787725.db2.gz ZXDZRBMAIMTTNU-NQSCKRDGSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000312862760 511787732 /nfs/dbraw/zinc/78/77/32/511787732.db2.gz ZXDZRBMAIMTTNU-NQSCKRDGSA-N 2 2 365.477 2.551 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281442867 511850561 /nfs/dbraw/zinc/85/05/61/511850561.db2.gz UAJXAUJIUQEHNH-SFHVURJKSA-N 2 2 372.513 2.748 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281442867 511850567 /nfs/dbraw/zinc/85/05/67/511850567.db2.gz UAJXAUJIUQEHNH-SFHVURJKSA-N 2 2 372.513 2.748 20 30 FFEDLP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1C#N ZINC000281676148 511928656 /nfs/dbraw/zinc/92/86/56/511928656.db2.gz LYZPVVGOCXPKEI-UHFFFAOYSA-N 2 2 351.450 2.689 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328801407 511933960 /nfs/dbraw/zinc/93/39/60/511933960.db2.gz ZHEDCEUKVRFICD-JLMIFGBASA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328801407 511933963 /nfs/dbraw/zinc/93/39/63/511933963.db2.gz ZHEDCEUKVRFICD-JLMIFGBASA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328801407 511933965 /nfs/dbraw/zinc/93/39/65/511933965.db2.gz ZHEDCEUKVRFICD-JLMIFGBASA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328801407 511933968 /nfs/dbraw/zinc/93/39/68/511933968.db2.gz ZHEDCEUKVRFICD-JLMIFGBASA-N 2 2 360.546 2.723 20 30 FFEDLP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)[C@H]2C1 ZINC000329227085 512008372 /nfs/dbraw/zinc/00/83/72/512008372.db2.gz AVVCQHRDUOCSGV-HOCLYGCPSA-N 2 2 363.531 2.701 20 30 FFEDLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000329258428 512015241 /nfs/dbraw/zinc/01/52/41/512015241.db2.gz AFSSGZRPEFIJRK-KRWDZBQOSA-N 2 2 372.513 2.818 20 30 FFEDLP C=CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369964068 512702078 /nfs/dbraw/zinc/70/20/78/512702078.db2.gz JWTSYAONEHPBKB-LEWJYISDSA-N 2 2 355.526 2.973 20 30 FFEDLP C=CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369964068 512702080 /nfs/dbraw/zinc/70/20/80/512702080.db2.gz JWTSYAONEHPBKB-LEWJYISDSA-N 2 2 355.526 2.973 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201101 512705636 /nfs/dbraw/zinc/70/56/36/512705636.db2.gz TXZKESSUZRNXGR-MRXNPFEDSA-N 2 2 351.454 2.924 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374201101 512705639 /nfs/dbraw/zinc/70/56/39/512705639.db2.gz TXZKESSUZRNXGR-MRXNPFEDSA-N 2 2 351.454 2.924 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000398013070 512952079 /nfs/dbraw/zinc/95/20/79/512952079.db2.gz DVFNTGYIKXEWJE-QMMLZNLJSA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000398013070 512952081 /nfs/dbraw/zinc/95/20/81/512952081.db2.gz DVFNTGYIKXEWJE-QMMLZNLJSA-N 2 2 365.477 2.551 20 30 FFEDLP C=CCOCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000470721852 514585218 /nfs/dbraw/zinc/58/52/18/514585218.db2.gz FJAPEVYOAAFUJA-FQEVSTJZSA-N 2 2 358.530 2.508 20 30 FFEDLP C=CCOCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000470721852 514585223 /nfs/dbraw/zinc/58/52/23/514585223.db2.gz FJAPEVYOAAFUJA-FQEVSTJZSA-N 2 2 358.530 2.508 20 30 FFEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455710286 514698246 /nfs/dbraw/zinc/69/82/46/514698246.db2.gz WVYRAMWCZFZHQT-UHFFFAOYSA-N 2 2 363.893 2.554 20 30 FFEDLP C[NH+](C)C1CC[NH+](CCNc2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000484820585 514804877 /nfs/dbraw/zinc/80/48/77/514804877.db2.gz MDRUOOZVSYOLBW-UHFFFAOYSA-N 2 2 359.424 2.823 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837851 515981887 /nfs/dbraw/zinc/98/18/87/515981887.db2.gz VIIBROMOKKKAER-SYYKKAFVSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837851 515981897 /nfs/dbraw/zinc/98/18/97/515981897.db2.gz VIIBROMOKKKAER-SYYKKAFVSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464837851 515981901 /nfs/dbraw/zinc/98/19/01/515981901.db2.gz VIIBROMOKKKAER-SYYKKAFVSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464837851 515981912 /nfs/dbraw/zinc/98/19/12/515981912.db2.gz VIIBROMOKKKAER-SYYKKAFVSA-N 2 2 370.541 2.883 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512428731 516274574 /nfs/dbraw/zinc/27/45/74/516274574.db2.gz YBJJGLNQZNMXAH-HSZRJFAPSA-N 2 2 360.505 2.950 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512428731 516274579 /nfs/dbraw/zinc/27/45/79/516274579.db2.gz YBJJGLNQZNMXAH-HSZRJFAPSA-N 2 2 360.505 2.950 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 ZINC000562950274 517525807 /nfs/dbraw/zinc/52/58/07/517525807.db2.gz XAFWGEGDULPHFM-UHFFFAOYSA-N 2 2 374.916 2.844 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 ZINC000562950274 517525809 /nfs/dbraw/zinc/52/58/09/517525809.db2.gz XAFWGEGDULPHFM-UHFFFAOYSA-N 2 2 374.916 2.844 20 30 FFEDLP COC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C#N ZINC000533760357 517601532 /nfs/dbraw/zinc/60/15/32/517601532.db2.gz FKGQLZORNADUSM-JXFKEZNVSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C#N ZINC000533760357 517601542 /nfs/dbraw/zinc/60/15/42/517601542.db2.gz FKGQLZORNADUSM-JXFKEZNVSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C#N ZINC000533760357 517601556 /nfs/dbraw/zinc/60/15/56/517601556.db2.gz FKGQLZORNADUSM-JXFKEZNVSA-N 2 2 353.466 2.794 20 30 FFEDLP COC(=O)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C#N ZINC000533760357 517601570 /nfs/dbraw/zinc/60/15/70/517601570.db2.gz FKGQLZORNADUSM-JXFKEZNVSA-N 2 2 353.466 2.794 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000556836398 517692230 /nfs/dbraw/zinc/69/22/30/517692230.db2.gz LUWGOYYTRUCUPH-RXVVDRJESA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000556836398 517692234 /nfs/dbraw/zinc/69/22/34/517692234.db2.gz LUWGOYYTRUCUPH-RXVVDRJESA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000556836398 517692244 /nfs/dbraw/zinc/69/22/44/517692244.db2.gz LUWGOYYTRUCUPH-RXVVDRJESA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556836398 517692250 /nfs/dbraw/zinc/69/22/50/517692250.db2.gz LUWGOYYTRUCUPH-RXVVDRJESA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000556836394 517692425 /nfs/dbraw/zinc/69/24/25/517692425.db2.gz LUWGOYYTRUCUPH-GHTZIAJQSA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000556836394 517692431 /nfs/dbraw/zinc/69/24/31/517692431.db2.gz LUWGOYYTRUCUPH-GHTZIAJQSA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000556836394 517692437 /nfs/dbraw/zinc/69/24/37/517692437.db2.gz LUWGOYYTRUCUPH-GHTZIAJQSA-N 2 2 366.509 2.535 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000556836394 517692443 /nfs/dbraw/zinc/69/24/43/517692443.db2.gz LUWGOYYTRUCUPH-GHTZIAJQSA-N 2 2 366.509 2.535 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000570407480 518593322 /nfs/dbraw/zinc/59/33/22/518593322.db2.gz CQPAJOUIMATHCB-CVEARBPZSA-N 2 2 358.511 2.874 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000570407480 518593331 /nfs/dbraw/zinc/59/33/31/518593331.db2.gz CQPAJOUIMATHCB-CVEARBPZSA-N 2 2 358.511 2.874 20 30 FFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000569120525 519388651 /nfs/dbraw/zinc/38/86/51/519388651.db2.gz JKEMNSMTWFSMHX-LJQANCHMSA-N 2 2 360.498 2.947 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C#N)ccc3Cl)CC2)CC1 ZINC000569470219 519568356 /nfs/dbraw/zinc/56/83/56/519568356.db2.gz BRVJJFIISFIKIT-UHFFFAOYSA-N 2 2 374.916 2.844 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C#N)ccc3Cl)CC2)CC1 ZINC000569470219 519568361 /nfs/dbraw/zinc/56/83/61/519568361.db2.gz BRVJJFIISFIKIT-UHFFFAOYSA-N 2 2 374.916 2.844 20 30 FFEDLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccccc1 ZINC000600717952 520418078 /nfs/dbraw/zinc/41/80/78/520418078.db2.gz ORHLZWRUDKPKFK-VQTJNVASSA-N 2 2 359.514 2.730 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504446 520515097 /nfs/dbraw/zinc/51/50/97/520515097.db2.gz JMGODFGQNYFAPH-WNKNEZEQSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504446 520515103 /nfs/dbraw/zinc/51/51/03/520515103.db2.gz JMGODFGQNYFAPH-WNKNEZEQSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504446 520515106 /nfs/dbraw/zinc/51/51/06/520515106.db2.gz JMGODFGQNYFAPH-WNKNEZEQSA-N 2 2 360.546 2.723 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504446 520515112 /nfs/dbraw/zinc/51/51/12/520515112.db2.gz JMGODFGQNYFAPH-WNKNEZEQSA-N 2 2 360.546 2.723 20 30 FFEDLP CN(CCC#N)C(=O)CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595551956 520548036 /nfs/dbraw/zinc/54/80/36/520548036.db2.gz MAMMLIQNAFSWPS-UHFFFAOYSA-N 2 2 353.470 2.580 20 30 FFEDLP N#Cc1c(F)cccc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000602006176 521073388 /nfs/dbraw/zinc/07/33/88/521073388.db2.gz LBTWBFMCLTUCTD-UHFFFAOYSA-N 2 2 369.440 2.698 20 30 FFEDLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N1CCCC1 ZINC000611438939 521159225 /nfs/dbraw/zinc/15/92/25/521159225.db2.gz WBCMGBFIIFIYKP-NRFANRHFSA-N 2 2 368.525 2.759 20 30 FFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000602512355 521388365 /nfs/dbraw/zinc/38/83/65/521388365.db2.gz XVYSUJDLMFIBDZ-HXUWFJFHSA-N 2 2 370.541 2.887 20 30 FFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000602512353 521388380 /nfs/dbraw/zinc/38/83/80/521388380.db2.gz XVYSUJDLMFIBDZ-FQEVSTJZSA-N 2 2 370.541 2.887 20 30 FFEDLP C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000597209282 521577305 /nfs/dbraw/zinc/57/73/05/521577305.db2.gz QITMJNPZJHKKHH-FQEVSTJZSA-N 2 2 359.477 2.955 20 30 FFEDLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000597209282 521577309 /nfs/dbraw/zinc/57/73/09/521577309.db2.gz QITMJNPZJHKKHH-FQEVSTJZSA-N 2 2 359.477 2.955 20 30 FFEDLP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)C[NH+](C)C ZINC000926422215 738614295 /nfs/dbraw/zinc/61/42/95/738614295.db2.gz DGWCPQXSAARQNB-CVEARBPZSA-N 2 2 352.523 2.846 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046951416 743341447 /nfs/dbraw/zinc/34/14/47/743341447.db2.gz KVVNUHTVUOXUNL-RRFJBIMHSA-N 2 2 352.429 2.553 20 30 FFEDLP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046951416 743341457 /nfs/dbraw/zinc/34/14/57/743341457.db2.gz KVVNUHTVUOXUNL-RRFJBIMHSA-N 2 2 352.429 2.553 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046951416 743341465 /nfs/dbraw/zinc/34/14/65/743341465.db2.gz KVVNUHTVUOXUNL-RRFJBIMHSA-N 2 2 352.429 2.553 20 30 FFEDLP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046951416 743341474 /nfs/dbraw/zinc/34/14/74/743341474.db2.gz KVVNUHTVUOXUNL-RRFJBIMHSA-N 2 2 352.429 2.553 20 30 FFEDLP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001112498645 963018769 /nfs/dbraw/zinc/01/87/69/963018769.db2.gz WMJPUYBTAOZNHD-UGKGYDQZSA-N 2 2 362.477 2.728 20 30 FFEDLP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@]2(CCOC2)C1 ZINC000261946085 964841717 /nfs/dbraw/zinc/84/17/17/964841717.db2.gz FZGFUYPBSVZKCC-HXUWFJFHSA-N 2 2 371.460 2.589 20 30 FFEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)Nc1ccc2c(c1)OCCCO2 ZINC000262011151 965309598 /nfs/dbraw/zinc/30/95/98/965309598.db2.gz UBGQVSLXLMKLCE-UHFFFAOYSA-N 2 2 372.494 2.694 20 30 FFEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)Nc1ccc2c(c1)OCCCO2 ZINC000262011151 965309606 /nfs/dbraw/zinc/30/96/06/965309606.db2.gz UBGQVSLXLMKLCE-UHFFFAOYSA-N 2 2 372.494 2.694 20 30 FFEDLP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001075453836 966842223 /nfs/dbraw/zinc/84/22/23/966842223.db2.gz CFYRDYYNTORJLK-MISYRCLQSA-N 2 2 368.525 2.877 20 30 FFEDLP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC001075453836 966842229 /nfs/dbraw/zinc/84/22/29/966842229.db2.gz CFYRDYYNTORJLK-MISYRCLQSA-N 2 2 368.525 2.877 20 30 FFEDLP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001075453836 966842234 /nfs/dbraw/zinc/84/22/34/966842234.db2.gz CFYRDYYNTORJLK-MISYRCLQSA-N 2 2 368.525 2.877 20 30 FFEDLP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC001075453836 966842239 /nfs/dbraw/zinc/84/22/39/966842239.db2.gz CFYRDYYNTORJLK-MISYRCLQSA-N 2 2 368.525 2.877 20 30 FFEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262386496 972614582 /nfs/dbraw/zinc/61/45/82/972614582.db2.gz HUTNSFQPRZRZBP-QFHJOOASSA-N 2 2 374.529 2.785 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990744505 976798255 /nfs/dbraw/zinc/79/82/55/976798255.db2.gz VBHNGDQQJSVYHD-JPAWQOSXSA-N 2 2 368.525 2.843 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990744505 976798265 /nfs/dbraw/zinc/79/82/65/976798265.db2.gz VBHNGDQQJSVYHD-JPAWQOSXSA-N 2 2 368.525 2.843 20 30 FFEDLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)[C@@H]2C)CC[NH+]1C ZINC001088577108 981280741 /nfs/dbraw/zinc/28/07/41/981280741.db2.gz AJPJOGQAWZSMCN-CIWUYKSXSA-N 2 2 373.928 2.611 20 30 FFEDLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)[C@@H]2C)CC[NH+]1C ZINC001088577108 981280743 /nfs/dbraw/zinc/28/07/43/981280743.db2.gz AJPJOGQAWZSMCN-CIWUYKSXSA-N 2 2 373.928 2.611 20 30 FFEDLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3Cl)[C@@H]2C)CC[N@@H+]1C ZINC001088577108 981280745 /nfs/dbraw/zinc/28/07/45/981280745.db2.gz AJPJOGQAWZSMCN-CIWUYKSXSA-N 2 2 373.928 2.611 20 30 FFEDLP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3Cl)[C@@H]2C)CC[N@H+]1C ZINC001088577108 981280746 /nfs/dbraw/zinc/28/07/46/981280746.db2.gz AJPJOGQAWZSMCN-CIWUYKSXSA-N 2 2 373.928 2.611 20 30 FFEDLP COc1cc[nH+]c(N2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000171612192 985342716 /nfs/dbraw/zinc/34/27/16/985342716.db2.gz DBSTVHNPRRPAEE-UHFFFAOYSA-N 2 2 352.438 2.553 20 30 FFEDLP N#Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)c1 ZINC001034664809 990158106 /nfs/dbraw/zinc/15/81/06/990158106.db2.gz RPVMWSJBGXIVAL-NCXUSEDFSA-N 2 2 363.465 2.602 20 30 FFEDLP N#Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)c1 ZINC001034664809 990158112 /nfs/dbraw/zinc/15/81/12/990158112.db2.gz RPVMWSJBGXIVAL-NCXUSEDFSA-N 2 2 363.465 2.602 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1c1ccc(F)cc1 ZINC001079160999 991865771 /nfs/dbraw/zinc/86/57/71/991865771.db2.gz BSGSFHCIEQPMSX-VQTJNVASSA-N 2 2 370.472 2.652 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001080541112 993130949 /nfs/dbraw/zinc/13/09/49/993130949.db2.gz FOLPSDBQNULKIR-RHSMWYFYSA-N 2 2 371.510 2.576 20 30 FFEDLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001080541112 993130953 /nfs/dbraw/zinc/13/09/53/993130953.db2.gz FOLPSDBQNULKIR-RHSMWYFYSA-N 2 2 371.510 2.576 20 30 FFEDLP Cc1cc(F)c(C#N)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000880991261 1016064803 /nfs/dbraw/zinc/06/48/03/1016064803.db2.gz VJTMHYNNQKSGBF-UHFFFAOYSA-N 2 2 373.476 2.686 20 30 FFEDLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1N[C@@H]1CCc2c1cccc2C#N ZINC001171060098 996987489 /nfs/dbraw/zinc/98/74/89/996987489.db2.gz AZYJWPJXVXIRCO-LJQANCHMSA-N 2 2 362.481 2.931 20 30 FFEDLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NC12CCC(C#N)(CC1)CC2 ZINC001169747128 1000073375 /nfs/dbraw/zinc/07/33/75/1000073375.db2.gz ZXJCTVQROSAFLZ-UHFFFAOYSA-N 2 2 354.502 2.989 20 30 FFEDLP C=CC[NH+]1CCN(C(=O)CCC[N@@H+](CC)[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC001183051465 1002134083 /nfs/dbraw/zinc/13/40/83/1002134083.db2.gz SSEUDKGFBRTODI-IBGZPJMESA-N 2 2 373.541 2.756 20 30 FFEDLP C=CC[NH+]1CCN(C(=O)CCC[N@H+](CC)[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC001183051465 1002134087 /nfs/dbraw/zinc/13/40/87/1002134087.db2.gz SSEUDKGFBRTODI-IBGZPJMESA-N 2 2 373.541 2.756 20 30 FFEDLP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001086590771 1002469316 /nfs/dbraw/zinc/46/93/16/1002469316.db2.gz XTASHZCYXQMFTG-RBUKOAKNSA-N 2 2 367.518 2.641 20 30 FFEDLP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001086590771 1002469326 /nfs/dbraw/zinc/46/93/26/1002469326.db2.gz XTASHZCYXQMFTG-RBUKOAKNSA-N 2 2 367.518 2.641 20 30 FFEDLP CC#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001086612579 1003310223 /nfs/dbraw/zinc/31/02/23/1003310223.db2.gz XUOPMFXPCYZQMP-VQTJNVASSA-N 2 2 364.493 2.614 20 30 FFEDLP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001086612579 1003310228 /nfs/dbraw/zinc/31/02/28/1003310228.db2.gz XUOPMFXPCYZQMP-VQTJNVASSA-N 2 2 364.493 2.614 20 30 FFEDLP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3cccc(/C=N/O)c3)C=C2)CC1 ZINC001170496117 1004213705 /nfs/dbraw/zinc/21/37/05/1004213705.db2.gz LDFLDEWNBVNAOZ-RPMJJKAASA-N 2 2 366.465 2.866 20 30 FFEDLP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1OC ZINC001198908406 1004790494 /nfs/dbraw/zinc/79/04/94/1004790494.db2.gz FITAXGOGUVNACW-KZNAEPCWSA-N 2 2 368.481 2.555 20 30 FFEDLP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1)n1cc[nH+]c1 ZINC001488954772 1005385692 /nfs/dbraw/zinc/38/56/92/1005385692.db2.gz VRZRHHCJJJQQLE-ABSDTBQOSA-N 2 2 365.481 2.781 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001110740721 1008315107 /nfs/dbraw/zinc/31/51/07/1008315107.db2.gz AHWPEXLZCXITFF-LFGUQSLTSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC001110740721 1008315112 /nfs/dbraw/zinc/31/51/12/1008315112.db2.gz AHWPEXLZCXITFF-LFGUQSLTSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748697 1008378595 /nfs/dbraw/zinc/37/85/95/1008378595.db2.gz OTXNXRWUSLFIPZ-SUMDDJOVSA-N 2 2 360.502 2.818 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001110748697 1008378596 /nfs/dbraw/zinc/37/85/96/1008378596.db2.gz OTXNXRWUSLFIPZ-SUMDDJOVSA-N 2 2 360.502 2.818 20 30 FFEDLP CCCCCCC[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275114334 1011954566 /nfs/dbraw/zinc/95/45/66/1011954566.db2.gz MHVNGNLZXLCDFU-FQEVSTJZSA-N 2 2 360.502 2.732 20 30 FFEDLP CCCCCCC[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275114334 1011954578 /nfs/dbraw/zinc/95/45/78/1011954578.db2.gz MHVNGNLZXLCDFU-FQEVSTJZSA-N 2 2 360.502 2.732 20 30 FFEDLP C#CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCCC1 ZINC000122990488 1012243457 /nfs/dbraw/zinc/24/34/57/1012243457.db2.gz QZXZYFPQWFIQLW-UHFFFAOYSA-N 2 2 360.546 2.524 20 30 FFEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001095241984 1012819977 /nfs/dbraw/zinc/81/99/77/1012819977.db2.gz BELQZPHPZURFOT-FYQPLNBISA-N 2 2 371.912 2.507 20 30 FFEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1cccc(Cl)c1 ZINC001095241984 1012819990 /nfs/dbraw/zinc/81/99/90/1012819990.db2.gz BELQZPHPZURFOT-FYQPLNBISA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001095241984 1012820013 /nfs/dbraw/zinc/82/00/13/1012820013.db2.gz BELQZPHPZURFOT-FYQPLNBISA-N 2 2 371.912 2.507 20 30 FFEDLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1cccc(Cl)c1 ZINC001095241984 1012820035 /nfs/dbraw/zinc/82/00/35/1012820035.db2.gz BELQZPHPZURFOT-FYQPLNBISA-N 2 2 371.912 2.507 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)cc1 ZINC001097338851 1017367666 /nfs/dbraw/zinc/36/76/66/1017367666.db2.gz YZNVWVOLGJDSQT-QFUCXCTJSA-N 2 2 371.444 2.970 20 30 FFEDLP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)cc1 ZINC001097338851 1017367677 /nfs/dbraw/zinc/36/76/77/1017367677.db2.gz YZNVWVOLGJDSQT-QFUCXCTJSA-N 2 2 371.444 2.970 20 30 FFEDLP CN(C(=O)C#Cc1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000827685474 1018611465 /nfs/dbraw/zinc/61/14/65/1018611465.db2.gz NKISKQCRPXKYPK-UXHICEINSA-N 2 2 373.566 2.895 20 30 FFEDLP CN(C(=O)C#Cc1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000827685474 1018611470 /nfs/dbraw/zinc/61/14/70/1018611470.db2.gz NKISKQCRPXKYPK-UXHICEINSA-N 2 2 373.566 2.895 20 30 FFEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)[nH+]1 ZINC001118872575 1022452123 /nfs/dbraw/zinc/45/21/23/1022452123.db2.gz CFTZIXKIVDDSMT-MOPGFXCFSA-N 2 2 366.465 2.578 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001121581836 1023862295 /nfs/dbraw/zinc/86/22/95/1023862295.db2.gz RFZQPSQRLJLKGU-QGZVFWFLSA-N 2 2 372.542 2.615 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001121581836 1023862302 /nfs/dbraw/zinc/86/23/02/1023862302.db2.gz RFZQPSQRLJLKGU-QGZVFWFLSA-N 2 2 372.542 2.615 20 30 FFEDLP N#CN=C(Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)c1ccncc1 ZINC001164509950 1029305276 /nfs/dbraw/zinc/30/52/76/1029305276.db2.gz FZFPMTVJBNKQQF-QGZVFWFLSA-N 2 2 359.437 2.895 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C(F)(F)F ZINC001112130418 1030071321 /nfs/dbraw/zinc/07/13/21/1030071321.db2.gz TXCAEJXMRJUVCM-ZIAGYGMSSA-N 2 2 366.387 2.893 20 30 FFEDLP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC001112361776 1030659528 /nfs/dbraw/zinc/65/95/28/1030659528.db2.gz FTGIFXUPNRVWMF-UWJYYQICSA-N 2 2 356.514 2.556 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC001112439306 1030814114 /nfs/dbraw/zinc/81/41/14/1030814114.db2.gz RZDGNYHXDSSOML-WFXMLNOXSA-N 2 2 356.514 2.630 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cccc(F)c1 ZINC001205439655 1031744813 /nfs/dbraw/zinc/74/48/13/1031744813.db2.gz DWQBUKYCAVHIBM-RBUKOAKNSA-N 2 2 356.445 2.642 20 30 FFEDLP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cccc(F)c1 ZINC001205439709 1031745496 /nfs/dbraw/zinc/74/54/96/1031745496.db2.gz HGFPILZCRJRASM-LSTHTHJFSA-N 2 2 368.456 2.581 20 30 FFEDLP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC001138549284 1034399395 /nfs/dbraw/zinc/39/93/95/1034399395.db2.gz UXDXSIVZPBSAOA-UHFFFAOYSA-N 2 2 358.449 2.770 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001221656098 1034952738 /nfs/dbraw/zinc/95/27/38/1034952738.db2.gz FWAOTTDJEUDJSA-CEXWTWQISA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001221656098 1034952747 /nfs/dbraw/zinc/95/27/47/1034952747.db2.gz FWAOTTDJEUDJSA-CEXWTWQISA-N 2 2 356.514 2.725 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001229658085 1036809457 /nfs/dbraw/zinc/80/94/57/1036809457.db2.gz JTTSLDPYNCKGLU-QZTJIDSGSA-N 2 2 353.470 2.864 20 30 FFEDLP C#CCCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528679 1038546950 /nfs/dbraw/zinc/54/69/50/1038546950.db2.gz JMONPJFOWWGIMI-GIVPXCGWSA-N 2 2 353.510 2.643 20 30 FFEDLP C#CCCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528679 1038546960 /nfs/dbraw/zinc/54/69/60/1038546960.db2.gz JMONPJFOWWGIMI-GIVPXCGWSA-N 2 2 353.510 2.643 20 30 FFEDLP CCC1(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cc(C#N)n(C)c4)C3)C2)COC1 ZINC001278472177 1039534414 /nfs/dbraw/zinc/53/44/14/1039534414.db2.gz DLTDSATUFHYZQL-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP CCC1(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cc(C#N)n(C)c4)C3)C2)COC1 ZINC001278472177 1039534424 /nfs/dbraw/zinc/53/44/24/1039534424.db2.gz DLTDSATUFHYZQL-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP CCC1(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cc(C#N)n(C)c4)C3)C2)COC1 ZINC001278472177 1039534440 /nfs/dbraw/zinc/53/44/40/1039534440.db2.gz DLTDSATUFHYZQL-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP CCC1(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cc(C#N)n(C)c4)C3)C2)COC1 ZINC001278472177 1039534455 /nfs/dbraw/zinc/53/44/55/1039534455.db2.gz DLTDSATUFHYZQL-OAQYLSRUSA-N 2 2 356.514 2.611 20 30 FFEDLP C=CCC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001252619194 1039615220 /nfs/dbraw/zinc/61/52/20/1039615220.db2.gz BVBOJDRBTGQKPU-XZOQPEGZSA-N 2 2 368.521 2.966 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC001254649968 1040856797 /nfs/dbraw/zinc/85/67/97/1040856797.db2.gz WSSLNMOTNGULAO-JQHSSLGASA-N 2 2 362.518 2.742 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C[C@H]1C ZINC001214655153 1041520701 /nfs/dbraw/zinc/52/07/01/1041520701.db2.gz BEYJJMPLWZREAJ-NCXUSEDFSA-N 2 2 356.514 2.557 20 30 FFEDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2F)CC1 ZINC001323472625 1045604042 /nfs/dbraw/zinc/60/40/42/1045604042.db2.gz PDTUVKODDLFCBE-UHFFFAOYSA-N 2 2 356.420 2.878 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001515032641 1059241694 /nfs/dbraw/zinc/24/16/94/1059241694.db2.gz XFQBJBDODQRVSS-GBESFXJTSA-N 2 2 372.561 2.617 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000106214569 250256613 /nfs/dbraw/zinc/25/66/13/250256613.db2.gz NBLRMHVKYXIKQY-RTBURBONSA-N 2 2 363.465 2.760 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000106214569 250256619 /nfs/dbraw/zinc/25/66/19/250256619.db2.gz NBLRMHVKYXIKQY-RTBURBONSA-N 2 2 363.465 2.760 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3COc4ccccc4[C@@H]3O)CC2)cc1 ZINC000290179283 257318897 /nfs/dbraw/zinc/31/88/97/257318897.db2.gz FEXBXEJFOIJAOF-UNMCSNQZSA-N 2 2 363.461 2.607 20 30 FFEDLP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C[C@@H](C)C#N ZINC000066424721 506513810 /nfs/dbraw/zinc/51/38/10/506513810.db2.gz QFXRZTKDHHVWLB-KRWDZBQOSA-N 2 2 356.514 2.557 20 30 FFEDLP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C[C@@H](C)C#N ZINC000066424721 506513817 /nfs/dbraw/zinc/51/38/17/506513817.db2.gz QFXRZTKDHHVWLB-KRWDZBQOSA-N 2 2 356.514 2.557 20 30 FFEDLP C=CCOc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050798936 507713524 /nfs/dbraw/zinc/71/35/24/507713524.db2.gz XTTKCMRGJSWVEL-UHFFFAOYSA-N 2 2 357.498 2.540 20 30 FFEDLP N#CCSCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000074989781 508076151 /nfs/dbraw/zinc/07/61/51/508076151.db2.gz YAEWHOWBYQLVDQ-LJQANCHMSA-N 2 2 373.570 2.562 20 30 FFEDLP N#CCSCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000074989781 508076152 /nfs/dbraw/zinc/07/61/52/508076152.db2.gz YAEWHOWBYQLVDQ-LJQANCHMSA-N 2 2 373.570 2.562 20 30 FFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)o1 ZINC000092668800 508092654 /nfs/dbraw/zinc/09/26/54/508092654.db2.gz ATAJGRBJURHMST-GOSISDBHSA-N 2 2 365.481 2.580 20 30 FFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)o1 ZINC000092668800 508092657 /nfs/dbraw/zinc/09/26/57/508092657.db2.gz ATAJGRBJURHMST-GOSISDBHSA-N 2 2 365.481 2.580 20 30 FFEDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093147198 508124334 /nfs/dbraw/zinc/12/43/34/508124334.db2.gz OXIXJULJTJOBIF-OAQYLSRUSA-N 2 2 370.541 2.971 20 30 FFEDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093147198 508124337 /nfs/dbraw/zinc/12/43/37/508124337.db2.gz OXIXJULJTJOBIF-OAQYLSRUSA-N 2 2 370.541 2.971 20 30 FFEDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156410797 508416237 /nfs/dbraw/zinc/41/62/37/508416237.db2.gz BJBVFRROGDJMMN-GUYCJALGSA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000156410797 508416239 /nfs/dbraw/zinc/41/62/39/508416239.db2.gz BJBVFRROGDJMMN-GUYCJALGSA-N 2 2 357.845 2.930 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000156980632 508505761 /nfs/dbraw/zinc/50/57/61/508505761.db2.gz DIFASNDGOUMJOE-ZNLUXHQJSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000156980632 508505764 /nfs/dbraw/zinc/50/57/64/508505764.db2.gz DIFASNDGOUMJOE-ZNLUXHQJSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000156980632 508505767 /nfs/dbraw/zinc/50/57/67/508505767.db2.gz DIFASNDGOUMJOE-ZNLUXHQJSA-N 2 2 368.525 2.780 20 30 FFEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000156980632 508505770 /nfs/dbraw/zinc/50/57/70/508505770.db2.gz DIFASNDGOUMJOE-ZNLUXHQJSA-N 2 2 368.525 2.780 20 30 FFEDLP Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c(Cl)c1 ZINC000266999921 509300130 /nfs/dbraw/zinc/30/01/30/509300130.db2.gz GMXOTFLZFMMHOY-UHFFFAOYSA-N 2 2 374.872 2.986 20 30 FFEDLP COc1ccc(CNC(=[NH2+])NCCCc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000264077242 509319039 /nfs/dbraw/zinc/31/90/39/509319039.db2.gz GEZIVRKENRRKDS-UHFFFAOYSA-N 2 2 367.453 2.617 20 30 FFEDLP COc1ccc(CNC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1OC ZINC000264123879 509341044 /nfs/dbraw/zinc/34/10/44/509341044.db2.gz VUZCLXHXBSNMDD-QGZVFWFLSA-N 2 2 374.460 2.550 20 30 FFEDLP C=CCN(CC1CCCCC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179311357 509369549 /nfs/dbraw/zinc/36/95/49/509369549.db2.gz DOKQHLYXQXVWMH-UHFFFAOYSA-N 2 2 350.551 2.790 20 30 FFEDLP CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261964004 510130042 /nfs/dbraw/zinc/13/00/42/510130042.db2.gz LBNZFOPBJNPRAJ-SNRMKQJTSA-N 2 2 373.476 2.604 20 30 FFEDLP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261988719 510139797 /nfs/dbraw/zinc/13/97/97/510139797.db2.gz QTBVNQJXXABIQX-CABCVRRESA-N 2 2 358.490 2.827 20 30 FFEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000175770864 510782197 /nfs/dbraw/zinc/78/21/97/510782197.db2.gz QAYBWPAJMGWGAF-IBGZPJMESA-N 2 2 365.443 2.769 20 30 FFEDLP C[C@H](c1ccsc1)[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330178296 510931235 /nfs/dbraw/zinc/93/12/35/510931235.db2.gz DPCNMZJKPLEKCD-ZBFHGGJFSA-N 2 2 359.499 2.552 20 30 FFEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000329101776 511983579 /nfs/dbraw/zinc/98/35/79/511983579.db2.gz ZVQUPRFHXQWXAY-KRWDZBQOSA-N 2 2 360.502 2.887 20 30 FFEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000329463685 512051586 /nfs/dbraw/zinc/05/15/86/512051586.db2.gz QQGXZXKSZAQFEW-LJQANCHMSA-N 2 2 353.470 2.847 20 30 FFEDLP C[NH+]1CCC(CNC(=O)Nc2ccc(F)cc2C#N)([NH+]2CCCCC2)CC1 ZINC000378063246 512569503 /nfs/dbraw/zinc/56/95/03/512569503.db2.gz VTKBGLHSWBDGKM-UHFFFAOYSA-N 2 2 373.476 2.769 20 30 FFEDLP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000368074759 512790924 /nfs/dbraw/zinc/79/09/24/512790924.db2.gz WKWVIFQISQKCAC-FUHWJXTLSA-N 2 2 354.479 2.983 20 30 FFEDLP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000368074759 512790930 /nfs/dbraw/zinc/79/09/30/512790930.db2.gz WKWVIFQISQKCAC-FUHWJXTLSA-N 2 2 354.479 2.983 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390635610 512908959 /nfs/dbraw/zinc/90/89/59/512908959.db2.gz FMJQOIAZFXRPAN-RTWAWAEBSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390635610 512908966 /nfs/dbraw/zinc/90/89/66/512908966.db2.gz FMJQOIAZFXRPAN-RTWAWAEBSA-N 2 2 365.477 2.552 20 30 FFEDLP C[NH+]1CCC(CNC(=O)NCC(C)(C)CCC#N)([NH+]2CCCCC2)CC1 ZINC000376711688 512953672 /nfs/dbraw/zinc/95/36/72/512953672.db2.gz NWMSWVQPOSLBQY-UHFFFAOYSA-N 2 2 363.550 2.566 20 30 FFEDLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000439593901 513147073 /nfs/dbraw/zinc/14/70/73/513147073.db2.gz HSYJSPFUMDNSRN-NZSAHSFTSA-N 2 2 368.506 2.819 20 30 FFEDLP C[N@H+]1CCC[C@H](C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000439593901 513147078 /nfs/dbraw/zinc/14/70/78/513147078.db2.gz HSYJSPFUMDNSRN-NZSAHSFTSA-N 2 2 368.506 2.819 20 30 FFEDLP C[NH+](C)CCCN(CCC#N)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425180479 513439025 /nfs/dbraw/zinc/43/90/25/513439025.db2.gz SQPCFVQMVZGEEG-SFHVURJKSA-N 2 2 353.470 2.626 20 30 FFEDLP C=C(CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422212256 513641533 /nfs/dbraw/zinc/64/15/33/513641533.db2.gz XILXCHNGJHWLGT-UHFFFAOYSA-N 2 2 370.541 2.901 20 30 FFEDLP C=C(CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422212256 513641537 /nfs/dbraw/zinc/64/15/37/513641537.db2.gz XILXCHNGJHWLGT-UHFFFAOYSA-N 2 2 370.541 2.901 20 30 FFEDLP CN(C(=O)c1ccc(C#N)o1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489149930 514728274 /nfs/dbraw/zinc/72/82/74/514728274.db2.gz VZMCDVORUUJAJJ-QZTJIDSGSA-N 2 2 358.486 2.560 20 30 FFEDLP CN(C(=O)c1ccc(C#N)o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489149930 514728279 /nfs/dbraw/zinc/72/82/79/514728279.db2.gz VZMCDVORUUJAJJ-QZTJIDSGSA-N 2 2 358.486 2.560 20 30 FFEDLP C=C(CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000498385283 514893106 /nfs/dbraw/zinc/89/31/06/514893106.db2.gz GRUBPAYENYHYDV-UHFFFAOYSA-N 2 2 370.541 2.949 20 30 FFEDLP C[NH+](CC#CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000472604195 515334418 /nfs/dbraw/zinc/33/44/18/515334418.db2.gz OCWJZXWJXZNVMX-VXKWHMMOSA-N 4 2 362.606 2.602 20 30 FFEDLP C[NH+](CC#CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000472604195 515334421 /nfs/dbraw/zinc/33/44/21/515334421.db2.gz OCWJZXWJXZNVMX-VXKWHMMOSA-N 4 2 362.606 2.602 20 30 FFEDLP C[NH+](CC#CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000472604195 515334424 /nfs/dbraw/zinc/33/44/24/515334424.db2.gz OCWJZXWJXZNVMX-VXKWHMMOSA-N 4 2 362.606 2.602 20 30 FFEDLP C[NH+](CC#CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000472604195 515334427 /nfs/dbraw/zinc/33/44/27/515334427.db2.gz OCWJZXWJXZNVMX-VXKWHMMOSA-N 4 2 362.606 2.602 20 30 FFEDLP CN(CC#CC[NH+](C)CC[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCCC[N@@H+]1C ZINC000472604195 515334429 /nfs/dbraw/zinc/33/44/29/515334429.db2.gz OCWJZXWJXZNVMX-VXKWHMMOSA-N 3 2 362.606 2.602 20 30 FFEDLP CN(CC#CC[NH+](C)CC[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCCC[N@H+]1C ZINC000472604195 515334430 /nfs/dbraw/zinc/33/44/30/515334430.db2.gz OCWJZXWJXZNVMX-VXKWHMMOSA-N 3 2 362.606 2.602 20 30 FFEDLP CN(CC#CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000472604195 515334434 /nfs/dbraw/zinc/33/44/34/515334434.db2.gz OCWJZXWJXZNVMX-VXKWHMMOSA-N 3 2 362.606 2.602 20 30 FFEDLP CN(CC#CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)CC[C@@H]1CCCC[NH+]1C ZINC000472604195 515334437 /nfs/dbraw/zinc/33/44/37/515334437.db2.gz OCWJZXWJXZNVMX-VXKWHMMOSA-N 3 2 362.606 2.602 20 30 FFEDLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000555171978 516816125 /nfs/dbraw/zinc/81/61/25/516816125.db2.gz DMMVYZQTMKUGPJ-SFHVURJKSA-N 2 2 371.529 2.506 20 30 FFEDLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000555171978 516816133 /nfs/dbraw/zinc/81/61/33/516816133.db2.gz DMMVYZQTMKUGPJ-SFHVURJKSA-N 2 2 371.529 2.506 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000519555449 517044137 /nfs/dbraw/zinc/04/41/37/517044137.db2.gz YXEHLFYWHNMYEG-MUZJZNNISA-N 2 2 357.502 2.529 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000519555449 517044151 /nfs/dbraw/zinc/04/41/51/517044151.db2.gz YXEHLFYWHNMYEG-MUZJZNNISA-N 2 2 357.502 2.529 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000560045289 517552247 /nfs/dbraw/zinc/55/22/47/517552247.db2.gz QWLWUSIVIAPTSR-INIZCTEOSA-N 2 2 355.486 2.689 20 30 FFEDLP N#Cc1ccc(C2([NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)CCOCC2)cc1 ZINC000527808662 517925095 /nfs/dbraw/zinc/92/50/95/517925095.db2.gz BJENIOUGSRNBPO-UHFFFAOYSA-N 2 2 359.433 2.934 20 30 FFEDLP CN(CCC[N@H+](C)Cc1cc(C#N)ccc1Br)CC[NH+](C)C ZINC000569617356 518208200 /nfs/dbraw/zinc/20/82/00/518208200.db2.gz CCOIZZXEOHYSCC-UHFFFAOYSA-N 2 2 367.335 2.636 20 30 FFEDLP CN(CCC[N@@H+](C)Cc1cc(C#N)ccc1Br)CC[NH+](C)C ZINC000569617356 518208205 /nfs/dbraw/zinc/20/82/05/518208205.db2.gz CCOIZZXEOHYSCC-UHFFFAOYSA-N 2 2 367.335 2.636 20 30 FFEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(C#N)c(F)c3)c2cc1C ZINC000572628941 518284577 /nfs/dbraw/zinc/28/45/77/518284577.db2.gz SADLBZCYHRBTBX-KRWDZBQOSA-N 2 2 352.413 2.815 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000582056003 518567121 /nfs/dbraw/zinc/56/71/21/518567121.db2.gz HJBZHIIXZSWVMV-UHFFFAOYSA-N 2 2 373.476 2.721 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000582056003 518567129 /nfs/dbraw/zinc/56/71/29/518567129.db2.gz HJBZHIIXZSWVMV-UHFFFAOYSA-N 2 2 373.476 2.721 20 30 FFEDLP Cc1cc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c(C#N)c[nH+]1 ZINC000570565518 518671164 /nfs/dbraw/zinc/67/11/64/518671164.db2.gz ZLSALVYDQUYUGB-QGZVFWFLSA-N 2 2 350.466 2.996 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000582912197 518982416 /nfs/dbraw/zinc/98/24/16/518982416.db2.gz WXFSOMAGXYTUGN-YPAWHYETSA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000582912197 518982420 /nfs/dbraw/zinc/98/24/20/518982420.db2.gz WXFSOMAGXYTUGN-YPAWHYETSA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000582912197 518982426 /nfs/dbraw/zinc/98/24/26/518982426.db2.gz WXFSOMAGXYTUGN-YPAWHYETSA-N 2 2 374.488 2.539 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000582912197 518982433 /nfs/dbraw/zinc/98/24/33/518982433.db2.gz WXFSOMAGXYTUGN-YPAWHYETSA-N 2 2 374.488 2.539 20 30 FFEDLP CCc1ccc([C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)[NH+](C)C)cc1 ZINC000580908184 519421116 /nfs/dbraw/zinc/42/11/16/519421116.db2.gz HHPVCXLCIFLKHZ-RBBKRZOGSA-N 2 2 367.493 2.753 20 30 FFEDLP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000566428336 519488432 /nfs/dbraw/zinc/48/84/32/519488432.db2.gz FMYMQKSMXMPCCW-HXUWFJFHSA-N 2 2 364.493 2.766 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(CC#N)cc3)CC2)CC1 ZINC000591481324 519927402 /nfs/dbraw/zinc/92/74/02/519927402.db2.gz RZHZYALULKANQW-UHFFFAOYSA-N 2 2 369.513 2.777 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(CC#N)cc3)CC2)CC1 ZINC000591481324 519927406 /nfs/dbraw/zinc/92/74/06/519927406.db2.gz RZHZYALULKANQW-UHFFFAOYSA-N 2 2 369.513 2.777 20 30 FFEDLP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000602957171 519992178 /nfs/dbraw/zinc/99/21/78/519992178.db2.gz RSDWSEZXTIEFOX-LJQANCHMSA-N 2 2 357.498 2.638 20 30 FFEDLP CCC1([NH+](C)C)CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000602966637 519997450 /nfs/dbraw/zinc/99/74/50/519997450.db2.gz MJAFFXSAJCELMX-IBGZPJMESA-N 2 2 354.498 2.860 20 30 FFEDLP CCc1ccc([C@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)[NH+](C)C)cc1 ZINC000600716510 520417663 /nfs/dbraw/zinc/41/76/63/520417663.db2.gz YFBMDYWSWDJKFX-SFTDATJTSA-N 2 2 367.493 2.753 20 30 FFEDLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[NH+](C)C ZINC000600732739 520432072 /nfs/dbraw/zinc/43/20/72/520432072.db2.gz FARABGMKGHDBCG-HBFSDRIKSA-N 2 2 359.514 2.647 20 30 FFEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552635 520547430 /nfs/dbraw/zinc/54/74/30/520547430.db2.gz YBEZLUIMIMGUIU-HNNXBMFYSA-N 2 2 365.481 2.768 20 30 FFEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595551330 520547813 /nfs/dbraw/zinc/54/78/13/520547813.db2.gz IQJMGAJVGMZHHH-HNNXBMFYSA-N 2 2 353.470 2.578 20 30 FFEDLP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCc4[nH+]c[nH]c4C3)sc2C1 ZINC000599429746 521217204 /nfs/dbraw/zinc/21/72/04/521217204.db2.gz JKDFZPPEHOLRKZ-LBPRGKRZSA-N 2 2 369.494 2.855 20 30 FFEDLP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4[nH+]c[nH]c4C3)sc2C1 ZINC000599429746 521217210 /nfs/dbraw/zinc/21/72/10/521217210.db2.gz JKDFZPPEHOLRKZ-LBPRGKRZSA-N 2 2 369.494 2.855 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619722903 521836294 /nfs/dbraw/zinc/83/62/94/521836294.db2.gz WNUSFCQROPJHOK-CBGDNZLLSA-N 2 2 371.529 2.842 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619722903 521836304 /nfs/dbraw/zinc/83/63/04/521836304.db2.gz WNUSFCQROPJHOK-CBGDNZLLSA-N 2 2 371.529 2.842 20 30 FFEDLP O[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000883360961 733373329 /nfs/dbraw/zinc/37/33/29/733373329.db2.gz PSJMGVMJWZGAAR-VIFPVBQESA-N 2 2 358.273 2.551 20 30 FFEDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000330209790 971134548 /nfs/dbraw/zinc/13/45/48/971134548.db2.gz BYOKZVKKEDZAIT-LSTHTHJFSA-N 2 2 365.481 2.852 20 30 FFEDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000330209790 971134557 /nfs/dbraw/zinc/13/45/57/971134557.db2.gz BYOKZVKKEDZAIT-LSTHTHJFSA-N 2 2 365.481 2.852 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@@H]2C1 ZINC001087971870 971409988 /nfs/dbraw/zinc/40/99/88/971409988.db2.gz XPZBPRKRVRQQDW-ZACQAIPSSA-N 2 2 364.921 2.929 20 30 FFEDLP C#CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1c1ccccc1 ZINC001211623523 968172907 /nfs/dbraw/zinc/17/29/07/968172907.db2.gz JNNPAXDQRKZMGG-VQTJNVASSA-N 2 2 364.493 2.534 20 30 FFEDLP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001211734589 969355873 /nfs/dbraw/zinc/35/58/73/969355873.db2.gz ZUPWJDITVRXKST-YSIASYRMSA-N 2 2 352.482 2.822 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@@H]2C1 ZINC001088213409 973684975 /nfs/dbraw/zinc/68/49/75/973684975.db2.gz ZSLPDRWATYLNMT-CEXWTWQISA-N 2 2 361.917 2.822 20 30 FFEDLP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC000981774867 976774732 /nfs/dbraw/zinc/77/47/32/976774732.db2.gz LECSQFCMQSLRTR-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC000981774867 976774744 /nfs/dbraw/zinc/77/47/44/976774744.db2.gz LECSQFCMQSLRTR-RTBURBONSA-N 2 2 368.525 2.654 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087441583 977489736 /nfs/dbraw/zinc/48/97/36/977489736.db2.gz PAZQFLROXWLSPP-WOJBJXKFSA-N 2 2 352.482 2.513 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001087441583 977489739 /nfs/dbraw/zinc/48/97/39/977489739.db2.gz PAZQFLROXWLSPP-WOJBJXKFSA-N 2 2 352.482 2.513 20 30 FFEDLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001482109518 978083191 /nfs/dbraw/zinc/08/31/91/978083191.db2.gz GERJESHRBZNSBG-BMGDILEWSA-N 2 2 370.884 2.560 20 30 FFEDLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001482109518 978083201 /nfs/dbraw/zinc/08/32/01/978083201.db2.gz GERJESHRBZNSBG-BMGDILEWSA-N 2 2 370.884 2.560 20 30 FFEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088563664 981121216 /nfs/dbraw/zinc/12/12/16/981121216.db2.gz ZFOUYXWYAKGNEK-JRGCBEDISA-N 2 2 371.500 2.629 20 30 FFEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088563664 981121218 /nfs/dbraw/zinc/12/12/18/981121218.db2.gz ZFOUYXWYAKGNEK-JRGCBEDISA-N 2 2 371.500 2.629 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088563664 981121222 /nfs/dbraw/zinc/12/12/22/981121222.db2.gz ZFOUYXWYAKGNEK-JRGCBEDISA-N 2 2 371.500 2.629 20 30 FFEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC001088563664 981121225 /nfs/dbraw/zinc/12/12/25/981121225.db2.gz ZFOUYXWYAKGNEK-JRGCBEDISA-N 2 2 371.500 2.629 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2)[C@@H]1C ZINC001088630816 982045311 /nfs/dbraw/zinc/04/53/11/982045311.db2.gz BENOGWBIRSDTLJ-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)[C@@H]1C ZINC001088630816 982045320 /nfs/dbraw/zinc/04/53/20/982045320.db2.gz BENOGWBIRSDTLJ-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(Cl)c2)[C@@H]1C ZINC001088630816 982045331 /nfs/dbraw/zinc/04/53/31/982045331.db2.gz BENOGWBIRSDTLJ-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(Cl)c2)[C@@H]1C ZINC001088630816 982045342 /nfs/dbraw/zinc/04/53/42/982045342.db2.gz BENOGWBIRSDTLJ-MNEFBYGVSA-N 2 2 359.901 2.517 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@]3(C#N)CC4CCC3CC4)CC2)CC1 ZINC000911191031 982162638 /nfs/dbraw/zinc/16/26/38/982162638.db2.gz VVWXFPCNVUDNJZ-OBFZPWGMSA-N 2 2 372.557 2.725 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@]3(C#N)CC4CCC3CC4)CC2)CC1 ZINC000911191031 982162641 /nfs/dbraw/zinc/16/26/41/982162641.db2.gz VVWXFPCNVUDNJZ-OBFZPWGMSA-N 2 2 372.557 2.725 20 30 FFEDLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897309 985374534 /nfs/dbraw/zinc/37/45/34/985374534.db2.gz CZQNNWJZOWRALC-LQWHRVPQSA-N 2 2 368.525 2.902 20 30 FFEDLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C)[NH+]1CCCCCC1 ZINC001088897309 985374542 /nfs/dbraw/zinc/37/45/42/985374542.db2.gz CZQNNWJZOWRALC-LQWHRVPQSA-N 2 2 368.525 2.902 20 30 FFEDLP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001007356718 1015190969 /nfs/dbraw/zinc/19/09/69/1015190969.db2.gz MIUQEUFZRSIMQI-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001007356718 1015190973 /nfs/dbraw/zinc/19/09/73/1015190973.db2.gz MIUQEUFZRSIMQI-CEXWTWQISA-N 2 2 356.514 2.701 20 30 FFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001106763709 988985082 /nfs/dbraw/zinc/98/50/82/988985082.db2.gz PADWDWUDCSRQLX-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP CCC[N@H+](CC)C[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000811625481 995196291 /nfs/dbraw/zinc/19/62/91/995196291.db2.gz NPEXLFMIXVEPPM-OAHLLOKOSA-N 2 2 369.513 2.767 20 30 FFEDLP CCC[N@@H+](CC)C[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000811625481 995196295 /nfs/dbraw/zinc/19/62/95/995196295.db2.gz NPEXLFMIXVEPPM-OAHLLOKOSA-N 2 2 369.513 2.767 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054199678 1015959971 /nfs/dbraw/zinc/95/99/71/1015959971.db2.gz CUOSZDMTNZCHLJ-DBXWQHBBSA-N 2 2 356.514 2.804 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C2 ZINC001054199678 1015959979 /nfs/dbraw/zinc/95/99/79/1015959979.db2.gz CUOSZDMTNZCHLJ-DBXWQHBBSA-N 2 2 356.514 2.804 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001085232319 999217867 /nfs/dbraw/zinc/21/78/67/999217867.db2.gz YMCSVVKZPUVBEO-QBPKDAKJSA-N 2 2 369.494 2.664 20 30 FFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC001085232319 999217871 /nfs/dbraw/zinc/21/78/71/999217871.db2.gz YMCSVVKZPUVBEO-QBPKDAKJSA-N 2 2 369.494 2.664 20 30 FFEDLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109864894 1001097311 /nfs/dbraw/zinc/09/73/11/1001097311.db2.gz ZUHYFMVQUAWWEV-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC001109864894 1001097319 /nfs/dbraw/zinc/09/73/19/1001097319.db2.gz ZUHYFMVQUAWWEV-AABGKKOBSA-N 2 2 373.928 2.755 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@]2(C)C1 ZINC001092166146 1002451604 /nfs/dbraw/zinc/45/16/04/1002451604.db2.gz RGQIFLAKXZEOJU-UTKZUKDTSA-N 2 2 365.481 2.627 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@]2(C)C1 ZINC001092166146 1002451611 /nfs/dbraw/zinc/45/16/11/1002451611.db2.gz RGQIFLAKXZEOJU-UTKZUKDTSA-N 2 2 365.481 2.627 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092305088 1002639972 /nfs/dbraw/zinc/63/99/72/1002639972.db2.gz ZTCLTSVTIWLFFJ-HBFSDRIKSA-N 2 2 361.917 2.822 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@]2(C)C1 ZINC001092305088 1002639976 /nfs/dbraw/zinc/63/99/76/1002639976.db2.gz ZTCLTSVTIWLFFJ-HBFSDRIKSA-N 2 2 361.917 2.822 20 30 FFEDLP N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)c1 ZINC001095619654 1016868682 /nfs/dbraw/zinc/86/86/82/1016868682.db2.gz OHEJMXBJXIXMHI-LMNJBCLMSA-N 2 2 371.444 2.970 20 30 FFEDLP N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4c[nH+]ccc4[nH]2)C3)c1 ZINC001095619654 1016868693 /nfs/dbraw/zinc/86/86/93/1016868693.db2.gz OHEJMXBJXIXMHI-LMNJBCLMSA-N 2 2 371.444 2.970 20 30 FFEDLP C#C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001195568994 1004999224 /nfs/dbraw/zinc/99/92/24/1004999224.db2.gz UITWUPOLOCQXIR-PXNSSMCTSA-N 2 2 373.928 2.938 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001488888060 1005379611 /nfs/dbraw/zinc/37/96/11/1005379611.db2.gz AFYAFNRQOMZODB-RBUKOAKNSA-N 2 2 361.917 2.807 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001488888060 1005379614 /nfs/dbraw/zinc/37/96/14/1005379614.db2.gz AFYAFNRQOMZODB-RBUKOAKNSA-N 2 2 361.917 2.807 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001488888060 1005379617 /nfs/dbraw/zinc/37/96/17/1005379617.db2.gz AFYAFNRQOMZODB-RBUKOAKNSA-N 2 2 361.917 2.807 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001488888060 1005379619 /nfs/dbraw/zinc/37/96/19/1005379619.db2.gz AFYAFNRQOMZODB-RBUKOAKNSA-N 2 2 361.917 2.807 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]34OCCC[C@H]3C4(F)F)CC2)cc1 ZINC000850380595 1005812098 /nfs/dbraw/zinc/81/20/98/1005812098.db2.gz YDXYHCKYCMFHQS-MOPGFXCFSA-N 2 2 361.436 2.927 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883342118 1006758227 /nfs/dbraw/zinc/75/82/27/1006758227.db2.gz LBUMRKXDFVIVMP-FQEVSTJZSA-N 2 2 367.497 2.964 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001110693537 1007033677 /nfs/dbraw/zinc/03/36/77/1007033677.db2.gz MXOFNVIQXXAKAC-LMCOJAPRSA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1)[NH+](C)C ZINC001110693537 1007033689 /nfs/dbraw/zinc/03/36/89/1007033689.db2.gz MXOFNVIQXXAKAC-LMCOJAPRSA-N 2 2 372.488 2.505 20 30 FFEDLP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001110742543 1008337633 /nfs/dbraw/zinc/33/76/33/1008337633.db2.gz KMYBAKJAOMMGJV-MANSERQUSA-N 2 2 356.514 2.913 20 30 FFEDLP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001110742543 1008337638 /nfs/dbraw/zinc/33/76/38/1008337638.db2.gz KMYBAKJAOMMGJV-MANSERQUSA-N 2 2 356.514 2.913 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C[C@H]1C#N ZINC001172989131 1012157284 /nfs/dbraw/zinc/15/72/84/1012157284.db2.gz DWXTTWQBYMSYSI-SJORKVTESA-N 2 2 359.474 2.812 20 30 FFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893519 1018315601 /nfs/dbraw/zinc/31/56/01/1018315601.db2.gz FKMAVTHPAOASIQ-OBKDMQGPSA-N 2 2 373.928 2.806 20 30 FFEDLP C=C(Cl)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893519 1018315608 /nfs/dbraw/zinc/31/56/08/1018315608.db2.gz FKMAVTHPAOASIQ-OBKDMQGPSA-N 2 2 373.928 2.806 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893519 1018315618 /nfs/dbraw/zinc/31/56/18/1018315618.db2.gz FKMAVTHPAOASIQ-OBKDMQGPSA-N 2 2 373.928 2.806 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)C2 ZINC001097893519 1018315627 /nfs/dbraw/zinc/31/56/27/1018315627.db2.gz FKMAVTHPAOASIQ-OBKDMQGPSA-N 2 2 373.928 2.806 20 30 FFEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001045443173 1019970276 /nfs/dbraw/zinc/97/02/76/1019970276.db2.gz YOFICENPCXZWDZ-QZTJIDSGSA-N 2 2 356.514 2.701 20 30 FFEDLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)[NH+](CC)CC ZINC001111017932 1020603666 /nfs/dbraw/zinc/60/36/66/1020603666.db2.gz HDHJUYSZQKRCGG-NCYKPQTJSA-N 2 2 368.525 2.900 20 30 FFEDLP CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)[NH+](CC)CC ZINC001111017932 1020603672 /nfs/dbraw/zinc/60/36/72/1020603672.db2.gz HDHJUYSZQKRCGG-NCYKPQTJSA-N 2 2 368.525 2.900 20 30 FFEDLP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001098204702 1020729747 /nfs/dbraw/zinc/72/97/47/1020729747.db2.gz AMOGFMUZZSDHQY-LZQZEXGQSA-N 2 2 351.454 2.569 20 30 FFEDLP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001098204702 1020729756 /nfs/dbraw/zinc/72/97/56/1020729756.db2.gz AMOGFMUZZSDHQY-LZQZEXGQSA-N 2 2 351.454 2.569 20 30 FFEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000838595143 1026427887 /nfs/dbraw/zinc/42/78/87/1026427887.db2.gz GSTCBEVSNFVWDI-XUVXKRRUSA-N 2 2 362.562 2.623 20 30 FFEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000838595143 1026427891 /nfs/dbraw/zinc/42/78/91/1026427891.db2.gz GSTCBEVSNFVWDI-XUVXKRRUSA-N 2 2 362.562 2.623 20 30 FFEDLP C#CCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246811161 1026465924 /nfs/dbraw/zinc/46/59/24/1026465924.db2.gz PWAOLPPDHAGEEZ-VQTJNVASSA-N 2 2 362.562 2.769 20 30 FFEDLP C#CCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246811161 1026465925 /nfs/dbraw/zinc/46/59/25/1026465925.db2.gz PWAOLPPDHAGEEZ-VQTJNVASSA-N 2 2 362.562 2.769 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163347 1027019879 /nfs/dbraw/zinc/01/98/79/1027019879.db2.gz IYKJLQYPCATUJI-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001103163347 1027019884 /nfs/dbraw/zinc/01/98/84/1027019884.db2.gz IYKJLQYPCATUJI-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163347 1027019892 /nfs/dbraw/zinc/01/98/92/1027019892.db2.gz IYKJLQYPCATUJI-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001103163347 1027019896 /nfs/dbraw/zinc/01/98/96/1027019896.db2.gz IYKJLQYPCATUJI-KBAYOESNSA-N 2 2 358.530 2.863 20 30 FFEDLP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001160169313 1027621654 /nfs/dbraw/zinc/62/16/54/1027621654.db2.gz PEJPIPPSTUWIDU-UYAOXDASSA-N 2 2 368.525 2.868 20 30 FFEDLP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001160169313 1027621665 /nfs/dbraw/zinc/62/16/65/1027621665.db2.gz PEJPIPPSTUWIDU-UYAOXDASSA-N 2 2 368.525 2.868 20 30 FFEDLP N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160742171 1027848920 /nfs/dbraw/zinc/84/89/20/1027848920.db2.gz MRDHSOAAVXDIAF-SFHVURJKSA-N 2 2 356.857 2.855 20 30 FFEDLP Cc1c(Cl)c(Cl)nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1C#N ZINC001158258712 1029775614 /nfs/dbraw/zinc/77/56/14/1029775614.db2.gz HBIWKSBJKDPYSC-NSHDSACASA-N 2 2 354.285 2.570 20 30 FFEDLP Cc1c(Cl)c(Cl)nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1C#N ZINC001158258712 1029775623 /nfs/dbraw/zinc/77/56/23/1029775623.db2.gz HBIWKSBJKDPYSC-NSHDSACASA-N 2 2 354.285 2.570 20 30 FFEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142374539 1030372703 /nfs/dbraw/zinc/37/27/03/1030372703.db2.gz RILOCKSPXFYOKV-XTXLJPNXSA-N 2 2 350.466 2.711 20 30 FFEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142374539 1030372728 /nfs/dbraw/zinc/37/27/28/1030372728.db2.gz RILOCKSPXFYOKV-XTXLJPNXSA-N 2 2 350.466 2.711 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001205448825 1031753795 /nfs/dbraw/zinc/75/37/95/1031753795.db2.gz CCXLPXYRVXYGNI-UHFFFAOYSA-N 2 2 368.447 2.892 20 30 FFEDLP C[Si](C)(C)C#Cc1cc(Cl)ccc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219483286 1033664787 /nfs/dbraw/zinc/66/47/87/1033664787.db2.gz SUHDIUXEFKIMPX-KYJSFNMBSA-N 2 2 361.949 2.729 20 30 FFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001221663951 1034965312 /nfs/dbraw/zinc/96/53/12/1034965312.db2.gz WVLAGMCYMMCBFA-VQIMIIECSA-N 2 2 362.518 2.853 20 30 FFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001221663951 1034965324 /nfs/dbraw/zinc/96/53/24/1034965324.db2.gz WVLAGMCYMMCBFA-VQIMIIECSA-N 2 2 362.518 2.853 20 30 FFEDLP N#Cc1ccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c2c1 ZINC001140113393 1035345810 /nfs/dbraw/zinc/34/58/10/1035345810.db2.gz YZDSVTKXFYRADL-RTBURBONSA-N 2 2 357.461 2.998 20 30 FFEDLP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(C#N)ccn1)CC2 ZINC001232474992 1035719201 /nfs/dbraw/zinc/71/92/01/1035719201.db2.gz DZSHPCIPULTXEK-IBGZPJMESA-N 2 2 366.465 2.802 20 30 FFEDLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)C1 ZINC001233083323 1036333773 /nfs/dbraw/zinc/33/37/73/1036333773.db2.gz GFSDRQYRVZOJPO-LJQANCHMSA-N 2 2 355.482 2.716 20 30 FFEDLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C#N)cc3C)CC2)C1 ZINC001233083323 1036333796 /nfs/dbraw/zinc/33/37/96/1036333796.db2.gz GFSDRQYRVZOJPO-LJQANCHMSA-N 2 2 355.482 2.716 20 30 FFEDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)c(Cl)c4)C[C@@H]3C2)cn1 ZINC001232114863 1038179116 /nfs/dbraw/zinc/17/91/16/1038179116.db2.gz XVTHHIJYASOZEI-MOPGFXCFSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(C#N)c(Cl)c4)C[C@@H]3C2)cn1 ZINC001232114863 1038179126 /nfs/dbraw/zinc/17/91/26/1038179126.db2.gz XVTHHIJYASOZEI-MOPGFXCFSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(C#N)c(Cl)c4)C[C@@H]3C2)cn1 ZINC001232114863 1038179134 /nfs/dbraw/zinc/17/91/34/1038179134.db2.gz XVTHHIJYASOZEI-MOPGFXCFSA-N 2 2 369.900 2.899 20 30 FFEDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(C#N)c(Cl)c4)C[C@@H]3C2)cn1 ZINC001232114863 1038179147 /nfs/dbraw/zinc/17/91/47/1038179147.db2.gz XVTHHIJYASOZEI-MOPGFXCFSA-N 2 2 369.900 2.899 20 30 FFEDLP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cc(C#N)ccc3O)CC2)C1 ZINC001278895145 1038237411 /nfs/dbraw/zinc/23/74/11/1038237411.db2.gz JHIXAPHJQDECPW-UHFFFAOYSA-N 2 2 356.514 2.503 20 30 FFEDLP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cc(C#N)ccc3O)CC2)C1 ZINC001278895145 1038237421 /nfs/dbraw/zinc/23/74/21/1038237421.db2.gz JHIXAPHJQDECPW-UHFFFAOYSA-N 2 2 356.514 2.503 20 30 FFEDLP CCOC(=O)C1(C#N)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952154 1038603868 /nfs/dbraw/zinc/60/38/68/1038603868.db2.gz DALWGSNOBPZYSL-IBGZPJMESA-N 2 2 355.482 2.677 20 30 FFEDLP CCOC(=O)C1(C#N)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952154 1038603872 /nfs/dbraw/zinc/60/38/72/1038603872.db2.gz DALWGSNOBPZYSL-IBGZPJMESA-N 2 2 355.482 2.677 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)COc3ccccc3)CC2)c1 ZINC001251251580 1039033084 /nfs/dbraw/zinc/03/30/84/1039033084.db2.gz YKWTVRGEQCCNSY-NRFANRHFSA-N 2 2 365.477 2.552 20 30 FFEDLP C=CCC[C@H](O)C[NH2+]C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001252619192 1039615452 /nfs/dbraw/zinc/61/54/52/1039615452.db2.gz BVBOJDRBTGQKPU-GOTSBHOMSA-N 2 2 368.521 2.966 20 30 FFEDLP C[C@H](CCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283190900 1046350007 /nfs/dbraw/zinc/35/00/07/1046350007.db2.gz VNXCUCGWVKWWBE-KBRIMQKVSA-N 2 2 369.444 2.599 20 30 FFEDLP C[C@H](CCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283190900 1046350019 /nfs/dbraw/zinc/35/00/19/1046350019.db2.gz VNXCUCGWVKWWBE-KBRIMQKVSA-N 2 2 369.444 2.599 20 30 FFEDLP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(C#N)c(F)c3)c2)CC1 ZINC001326219185 1046820147 /nfs/dbraw/zinc/82/01/47/1046820147.db2.gz UXDYKGUCRXBZOV-UHFFFAOYSA-N 2 2 352.457 2.735 20 30 FFEDLP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001326599222 1046995089 /nfs/dbraw/zinc/99/50/89/1046995089.db2.gz PTGBALNVJRGWLD-RCCFBDPRSA-N 2 2 356.514 2.803 20 30 FFEDLP C=C(C)Cn1c(CCC)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC001356294013 1055440122 /nfs/dbraw/zinc/44/01/22/1055440122.db2.gz RVEWRRRQEIVQCS-UHFFFAOYSA-N 2 2 374.577 2.803 20 30 FFEDLP C=C(C)Cn1c(CCC)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC001356294013 1055440131 /nfs/dbraw/zinc/44/01/31/1055440131.db2.gz RVEWRRRQEIVQCS-UHFFFAOYSA-N 2 2 374.577 2.803 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001339528071 1056550552 /nfs/dbraw/zinc/55/05/52/1056550552.db2.gz BIUJEWXPBXQWRR-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001339528071 1056550561 /nfs/dbraw/zinc/55/05/61/1056550561.db2.gz BIUJEWXPBXQWRR-SFHVURJKSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001479423685 1062371633 /nfs/dbraw/zinc/37/16/33/1062371633.db2.gz AIYGCSSVZYZFHJ-YZGWKJHDSA-N 2 2 352.482 2.995 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001479423685 1062371657 /nfs/dbraw/zinc/37/16/57/1062371657.db2.gz AIYGCSSVZYZFHJ-YZGWKJHDSA-N 2 2 352.482 2.995 20 30 FFEDLP C[C@H]1C[N@H+](CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000278360534 256303782 /nfs/dbraw/zinc/30/37/82/256303782.db2.gz BIOVZYVGEQYJKL-IBGZPJMESA-N 3 2 370.541 2.613 20 30 FFEDLP C[C@H]1C[N@@H+](CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000278360534 256303783 /nfs/dbraw/zinc/30/37/83/256303783.db2.gz BIOVZYVGEQYJKL-IBGZPJMESA-N 3 2 370.541 2.613 20 30 FFEDLP C[C@@H]1C[N@H+](CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000278360539 256304149 /nfs/dbraw/zinc/30/41/49/256304149.db2.gz BIOVZYVGEQYJKL-LJQANCHMSA-N 3 2 370.541 2.613 20 30 FFEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCO1 ZINC000278360539 256304150 /nfs/dbraw/zinc/30/41/50/256304150.db2.gz BIOVZYVGEQYJKL-LJQANCHMSA-N 3 2 370.541 2.613 20 30 FFEDLP N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278792923 256348134 /nfs/dbraw/zinc/34/81/34/256348134.db2.gz FCTAKQGAZOPFEK-UHFFFAOYSA-N 2 2 369.494 2.971 20 30 FFEDLP CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375237397 512225257 /nfs/dbraw/zinc/22/52/57/512225257.db2.gz NSJKWSNBXFRUCN-LJQANCHMSA-N 2 2 366.550 2.632 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868841 507867173 /nfs/dbraw/zinc/86/71/73/507867173.db2.gz VIIBROMOKKKAER-CBQOVEMMSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868841 507867174 /nfs/dbraw/zinc/86/71/74/507867174.db2.gz VIIBROMOKKKAER-CBQOVEMMSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868841 507867175 /nfs/dbraw/zinc/86/71/75/507867175.db2.gz VIIBROMOKKKAER-CBQOVEMMSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868841 507867176 /nfs/dbraw/zinc/86/71/76/507867176.db2.gz VIIBROMOKKKAER-CBQOVEMMSA-N 2 2 370.541 2.883 20 30 FFEDLP C[N@H+](Cc1cnc2ccc(C#N)cn12)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645219 508089204 /nfs/dbraw/zinc/08/92/04/508089204.db2.gz SPESTAZEMPGEIM-UHFFFAOYSA-N 2 2 374.492 2.740 20 30 FFEDLP C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645219 508089206 /nfs/dbraw/zinc/08/92/06/508089206.db2.gz SPESTAZEMPGEIM-UHFFFAOYSA-N 2 2 374.492 2.740 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961618 508118230 /nfs/dbraw/zinc/11/82/30/508118230.db2.gz AYRYMZVGCYWXJF-SJORKVTESA-N 2 2 351.454 2.924 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961618 508118235 /nfs/dbraw/zinc/11/82/35/508118235.db2.gz AYRYMZVGCYWXJF-SJORKVTESA-N 2 2 351.454 2.924 20 30 FFEDLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000116393602 508506288 /nfs/dbraw/zinc/50/62/88/508506288.db2.gz MHXOSFKZDOZEMN-HRAATJIYSA-N 2 2 362.477 2.900 20 30 FFEDLP C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C[NH+]1CCOCC1 ZINC000120365743 508981868 /nfs/dbraw/zinc/98/18/68/508981868.db2.gz IZMGSQHJNHTUNO-SFHVURJKSA-N 2 2 367.497 2.522 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)CC1 ZINC000264421321 509518591 /nfs/dbraw/zinc/51/85/91/509518591.db2.gz RCTTVENVGZUEGA-GOSISDBHSA-N 2 2 371.460 2.598 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000264461060 509542545 /nfs/dbraw/zinc/54/25/45/509542545.db2.gz GHVOWUFRYFLJBL-LJQANCHMSA-N 2 2 359.539 2.543 20 30 FFEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000249423592 509677254 /nfs/dbraw/zinc/67/72/54/509677254.db2.gz IARQFNFYBDEZSN-HLIPFELVSA-N 2 2 372.513 2.612 20 30 FFEDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000249423592 509677265 /nfs/dbraw/zinc/67/72/65/509677265.db2.gz IARQFNFYBDEZSN-HLIPFELVSA-N 2 2 372.513 2.612 20 30 FFEDLP CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261963997 510130675 /nfs/dbraw/zinc/13/06/75/510130675.db2.gz LBNZFOPBJNPRAJ-LZQZEXGQSA-N 2 2 373.476 2.604 20 30 FFEDLP CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000245807043 510151668 /nfs/dbraw/zinc/15/16/68/510151668.db2.gz QEEBOJVUVQHNAJ-ZWKOTPCHSA-N 2 2 356.514 2.637 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246084279 510281986 /nfs/dbraw/zinc/28/19/86/510281986.db2.gz FBDODOWLPGJVGS-SJORKVTESA-N 2 2 355.486 2.547 20 30 FFEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246084279 510281991 /nfs/dbraw/zinc/28/19/91/510281991.db2.gz FBDODOWLPGJVGS-SJORKVTESA-N 2 2 355.486 2.547 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246214579 510368965 /nfs/dbraw/zinc/36/89/65/510368965.db2.gz POAUVKASPQXCBR-MOPGFXCFSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246214579 510368973 /nfs/dbraw/zinc/36/89/73/510368973.db2.gz POAUVKASPQXCBR-MOPGFXCFSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1 ZINC000266508041 510630146 /nfs/dbraw/zinc/63/01/46/510630146.db2.gz XBRLEHNWMRLYNV-KRWDZBQOSA-N 2 2 362.477 2.797 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247128848 510841792 /nfs/dbraw/zinc/84/17/92/510841792.db2.gz AQVGKGNDLJOHLJ-FUHIMQAGSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247128848 510841794 /nfs/dbraw/zinc/84/17/94/510841794.db2.gz AQVGKGNDLJOHLJ-FUHIMQAGSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247128848 510841798 /nfs/dbraw/zinc/84/17/98/510841798.db2.gz AQVGKGNDLJOHLJ-FUHIMQAGSA-N 2 2 372.488 2.877 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247128848 510841799 /nfs/dbraw/zinc/84/17/99/510841799.db2.gz AQVGKGNDLJOHLJ-FUHIMQAGSA-N 2 2 372.488 2.877 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000278521912 510997476 /nfs/dbraw/zinc/99/74/76/510997476.db2.gz CRISYNRTPLVFAK-KRWDZBQOSA-N 2 2 370.497 2.964 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000292910668 511768039 /nfs/dbraw/zinc/76/80/39/511768039.db2.gz HHIZRQSBQHYHST-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292910668 511768046 /nfs/dbraw/zinc/76/80/46/511768046.db2.gz HHIZRQSBQHYHST-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292910668 511768052 /nfs/dbraw/zinc/76/80/52/511768052.db2.gz HHIZRQSBQHYHST-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000292910668 511768058 /nfs/dbraw/zinc/76/80/58/511768058.db2.gz HHIZRQSBQHYHST-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312139558 511782890 /nfs/dbraw/zinc/78/28/90/511782890.db2.gz YOGAIIGDGUNMFU-LEWJYISDSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312139558 511782897 /nfs/dbraw/zinc/78/28/97/511782897.db2.gz YOGAIIGDGUNMFU-LEWJYISDSA-N 2 2 365.477 2.552 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000292999389 511801328 /nfs/dbraw/zinc/80/13/28/511801328.db2.gz OSEWYNWTAODEFM-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000292999389 511801335 /nfs/dbraw/zinc/80/13/35/511801335.db2.gz OSEWYNWTAODEFM-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000292999389 511801341 /nfs/dbraw/zinc/80/13/41/511801341.db2.gz OSEWYNWTAODEFM-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000292999389 511801347 /nfs/dbraw/zinc/80/13/47/511801347.db2.gz OSEWYNWTAODEFM-QFIPXVFZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cn2cc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)ccc2[nH+]1 ZINC000328799230 511932640 /nfs/dbraw/zinc/93/26/40/511932640.db2.gz XLJJIMHWIDBKGZ-UHFFFAOYSA-N 2 2 352.442 2.876 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000274788780 511942013 /nfs/dbraw/zinc/94/20/13/511942013.db2.gz BNDDCGSOYVAUPE-LAUBAEHRSA-N 2 2 362.477 2.997 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000274788780 511942018 /nfs/dbraw/zinc/94/20/18/511942018.db2.gz BNDDCGSOYVAUPE-LAUBAEHRSA-N 2 2 362.477 2.997 20 30 FFEDLP C[NH+]1CCC2(CCCN2C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329083357 511979208 /nfs/dbraw/zinc/97/92/08/511979208.db2.gz SRKDOZQYAWNSDF-MRXNPFEDSA-N 2 2 373.545 2.970 20 30 FFEDLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)[C@H]2C1 ZINC000329227086 512009485 /nfs/dbraw/zinc/00/94/85/512009485.db2.gz AVVCQHRDUOCSGV-ZBFHGGJFSA-N 2 2 363.531 2.701 20 30 FFEDLP C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1)C1=CC[N@H+](C)CC1 ZINC000329523061 512063544 /nfs/dbraw/zinc/06/35/44/512063544.db2.gz RLADSEFIFBHIJY-QGZVFWFLSA-N 2 2 371.529 2.972 20 30 FFEDLP C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1)C1=CC[N@@H+](C)CC1 ZINC000329523061 512063545 /nfs/dbraw/zinc/06/35/45/512063545.db2.gz RLADSEFIFBHIJY-QGZVFWFLSA-N 2 2 371.529 2.972 20 30 FFEDLP C[NH+]1CCC(CNC(=O)c2cccc3nccnc32)([NH+]2CCCCC2)CC1 ZINC000329647020 512081322 /nfs/dbraw/zinc/08/13/22/512081322.db2.gz BENQCOZYYGSZQO-UHFFFAOYSA-N 2 2 367.497 2.885 20 30 FFEDLP C[C@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C[C@H]1[NH+](C)C ZINC000329776087 512096420 /nfs/dbraw/zinc/09/64/20/512096420.db2.gz NSWVOPACHMGPIK-IJEWVQPXSA-N 2 2 365.547 2.802 20 30 FFEDLP C[C@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)C[C@H]1[NH+](C)C ZINC000329776087 512096421 /nfs/dbraw/zinc/09/64/21/512096421.db2.gz NSWVOPACHMGPIK-IJEWVQPXSA-N 2 2 365.547 2.802 20 30 FFEDLP N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCCC1 ZINC000376396513 512800408 /nfs/dbraw/zinc/80/04/08/512800408.db2.gz BPDCRXRYMOIQQU-QGZVFWFLSA-N 2 2 369.513 2.741 20 30 FFEDLP N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCCC1 ZINC000376396513 512800412 /nfs/dbraw/zinc/80/04/12/512800412.db2.gz BPDCRXRYMOIQQU-QGZVFWFLSA-N 2 2 369.513 2.741 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390635604 512909449 /nfs/dbraw/zinc/90/94/49/512909449.db2.gz FMJQOIAZFXRPAN-NHCUHLMSSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390635604 512909451 /nfs/dbraw/zinc/90/94/51/512909451.db2.gz FMJQOIAZFXRPAN-NHCUHLMSSA-N 2 2 365.477 2.552 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000370725956 513072025 /nfs/dbraw/zinc/07/20/25/513072025.db2.gz XDHMWTRMZQANCI-CQSZACIVSA-N 2 2 357.845 2.763 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000370725956 513072028 /nfs/dbraw/zinc/07/20/28/513072028.db2.gz XDHMWTRMZQANCI-CQSZACIVSA-N 2 2 357.845 2.763 20 30 FFEDLP C=C(CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377004652 513086230 /nfs/dbraw/zinc/08/62/30/513086230.db2.gz FSBJCTJENRUAIH-HXUWFJFHSA-N 2 2 356.514 2.510 20 30 FFEDLP C=C(CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000377004652 513086235 /nfs/dbraw/zinc/08/62/35/513086235.db2.gz FSBJCTJENRUAIH-HXUWFJFHSA-N 2 2 356.514 2.510 20 30 FFEDLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413198642 513516018 /nfs/dbraw/zinc/51/60/18/513516018.db2.gz CHRYAJRDRHSFPI-JWTNVVGKSA-N 2 2 369.469 2.522 20 30 FFEDLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413198642 513516026 /nfs/dbraw/zinc/51/60/26/513516026.db2.gz CHRYAJRDRHSFPI-JWTNVVGKSA-N 2 2 369.469 2.522 20 30 FFEDLP N#CCCn1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2ccncc2)n1 ZINC000435127018 513518292 /nfs/dbraw/zinc/51/82/92/513518292.db2.gz UBJGHCUFRHMEHH-FQEVSTJZSA-N 2 2 374.448 2.907 20 30 FFEDLP N#CCCn1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2ccncc2)n1 ZINC000435127018 513518301 /nfs/dbraw/zinc/51/83/01/513518301.db2.gz UBJGHCUFRHMEHH-FQEVSTJZSA-N 2 2 374.448 2.907 20 30 FFEDLP C=CCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000448392946 513749146 /nfs/dbraw/zinc/74/91/46/513749146.db2.gz ZYBWGHTUSPBQPX-MOPGFXCFSA-N 2 2 350.551 2.931 20 30 FFEDLP C=CCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000448392946 513749149 /nfs/dbraw/zinc/74/91/49/513749149.db2.gz ZYBWGHTUSPBQPX-MOPGFXCFSA-N 2 2 350.551 2.931 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]([C@H](CO)C3CC3)C3CC3)CC2)cc1 ZINC000449505956 514231523 /nfs/dbraw/zinc/23/15/23/514231523.db2.gz KDGNCSAFBJXJGM-YADHBBJMSA-N 2 2 353.510 2.909 20 30 FFEDLP C=CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000489716990 514949703 /nfs/dbraw/zinc/94/97/03/514949703.db2.gz OCRUUZUEUYESQK-OALUTQOASA-N 2 2 371.591 2.551 20 30 FFEDLP C=CCCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000489716990 514949713 /nfs/dbraw/zinc/94/97/13/514949713.db2.gz OCRUUZUEUYESQK-OALUTQOASA-N 2 2 371.591 2.551 20 30 FFEDLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485363562 515010656 /nfs/dbraw/zinc/01/06/56/515010656.db2.gz ZDZRJFFVYDRDFU-DQLDELGASA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485363562 515010670 /nfs/dbraw/zinc/01/06/70/515010670.db2.gz ZDZRJFFVYDRDFU-DQLDELGASA-N 2 2 362.477 2.585 20 30 FFEDLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(C#N)cc1F ZINC000512662436 516319332 /nfs/dbraw/zinc/31/93/32/516319332.db2.gz XFMDZAAGAKQBOQ-OAHLLOKOSA-N 2 2 353.445 2.695 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000536068214 516616028 /nfs/dbraw/zinc/61/60/28/516616028.db2.gz WPILWUQUQSUTRR-INIZCTEOSA-N 2 2 361.449 2.961 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000536068214 516616033 /nfs/dbraw/zinc/61/60/33/516616033.db2.gz WPILWUQUQSUTRR-INIZCTEOSA-N 2 2 361.449 2.961 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068488 516618619 /nfs/dbraw/zinc/61/86/19/516618619.db2.gz FFJFJGLRZAKTAN-IAGOWNOFSA-N 2 2 351.454 2.545 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068488 516618629 /nfs/dbraw/zinc/61/86/29/516618629.db2.gz FFJFJGLRZAKTAN-IAGOWNOFSA-N 2 2 351.454 2.545 20 30 FFEDLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1C#N ZINC000532675741 517092863 /nfs/dbraw/zinc/09/28/63/517092863.db2.gz AVDIFKMQXDTRIY-UHFFFAOYSA-N 2 2 365.481 2.526 20 30 FFEDLP Cc1cccn2c(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c[nH+]c12 ZINC000541871402 517265291 /nfs/dbraw/zinc/26/52/91/517265291.db2.gz UDRHEMGMRBPCTG-IBGZPJMESA-N 2 2 359.433 2.800 20 30 FFEDLP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000543280135 518001719 /nfs/dbraw/zinc/00/17/19/518001719.db2.gz LIWDOCJULRZUKP-KRWDZBQOSA-N 2 2 369.513 2.597 20 30 FFEDLP CNC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000539499793 518080744 /nfs/dbraw/zinc/08/07/44/518080744.db2.gz PUGJCFBOGCSRIJ-UHFFFAOYSA-N 2 2 362.477 2.672 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000576491336 518619688 /nfs/dbraw/zinc/61/96/88/518619688.db2.gz YDESUVLNQSCWNU-AEFFLSMTSA-N 2 2 367.497 2.817 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000565159318 518815493 /nfs/dbraw/zinc/81/54/93/518815493.db2.gz XSYPRFGJZJAGNC-OAQYLSRUSA-N 2 2 360.465 2.706 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000565159318 518815496 /nfs/dbraw/zinc/81/54/96/518815496.db2.gz XSYPRFGJZJAGNC-OAQYLSRUSA-N 2 2 360.465 2.706 20 30 FFEDLP C[NH+](Cc1ccc(C#N)cn1)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000565159318 518815501 /nfs/dbraw/zinc/81/55/01/518815501.db2.gz XSYPRFGJZJAGNC-OAQYLSRUSA-N 2 2 360.465 2.706 20 30 FFEDLP C[NH+](Cc1ccc(C#N)cn1)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000565159318 518815505 /nfs/dbraw/zinc/81/55/05/518815505.db2.gz XSYPRFGJZJAGNC-OAQYLSRUSA-N 2 2 360.465 2.706 20 30 FFEDLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1 ZINC000594956708 520228216 /nfs/dbraw/zinc/22/82/16/520228216.db2.gz KVZVHJYFSPTOIP-NRFANRHFSA-N 2 2 357.498 2.554 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499917 520422840 /nfs/dbraw/zinc/42/28/40/520422840.db2.gz CYYGROQSMWOOKL-SJORKVTESA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499917 520422844 /nfs/dbraw/zinc/42/28/44/520422844.db2.gz CYYGROQSMWOOKL-SJORKVTESA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499917 520422853 /nfs/dbraw/zinc/42/28/53/520422853.db2.gz CYYGROQSMWOOKL-SJORKVTESA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499917 520422855 /nfs/dbraw/zinc/42/28/55/520422855.db2.gz CYYGROQSMWOOKL-SJORKVTESA-N 2 2 352.486 2.687 20 30 FFEDLP Cc1cc(N[C@H](C)Cn2cc[nH+]c2)c(C#N)c(N[C@@H](C)Cn2cc[nH+]c2)[nH+]1 ZINC000596079318 520898639 /nfs/dbraw/zinc/89/86/39/520898639.db2.gz OGEMRWXWXYFBIH-CVEARBPZSA-N 3 2 364.457 2.656 20 30 FFEDLP CC(C)C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000602071866 521123608 /nfs/dbraw/zinc/12/36/08/521123608.db2.gz LWEWIPKADIETBO-HXUWFJFHSA-N 2 2 367.497 2.932 20 30 FFEDLP CN(C)c1ncc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593692834 521159798 /nfs/dbraw/zinc/15/97/98/521159798.db2.gz KVKCXAUZYKSXEZ-UHFFFAOYSA-N 2 2 355.511 2.835 20 30 FFEDLP N#CCCn1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccncc2)n1 ZINC000619068780 521381996 /nfs/dbraw/zinc/38/19/96/521381996.db2.gz FNFWSKHBVHRPCX-IBGZPJMESA-N 2 2 361.453 2.892 20 30 FFEDLP N#CCCn1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccncc2)n1 ZINC000619068780 521382004 /nfs/dbraw/zinc/38/20/04/521382004.db2.gz FNFWSKHBVHRPCX-IBGZPJMESA-N 2 2 361.453 2.892 20 30 FFEDLP C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000602575660 521418967 /nfs/dbraw/zinc/41/89/67/521418967.db2.gz UXNOEMASMMDYFU-SJLPKXTDSA-N 2 2 357.502 2.733 20 30 FFEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@]12CCCO2 ZINC000602706499 521487859 /nfs/dbraw/zinc/48/78/59/521487859.db2.gz QHHZQINTUWQSKM-YPAWHYETSA-N 2 2 369.509 2.839 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001164815010 720153805 /nfs/dbraw/zinc/15/38/05/720153805.db2.gz GMZHNCGJFJRURD-LAUBAEHRSA-N 2 2 365.481 2.619 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001164815010 720153815 /nfs/dbraw/zinc/15/38/15/720153815.db2.gz GMZHNCGJFJRURD-LAUBAEHRSA-N 2 2 365.481 2.619 20 30 FFEDLP N#Cc1cnc(Cl)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000877182848 732331913 /nfs/dbraw/zinc/33/19/13/732331913.db2.gz SSBRDNASCOQPJE-UHFFFAOYSA-N 2 2 362.905 2.931 20 30 FFEDLP C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000665394906 732702983 /nfs/dbraw/zinc/70/29/83/732702983.db2.gz XGPDYPCAYOXTAC-HKUYNNGSSA-N 2 2 350.551 2.789 20 30 FFEDLP C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665394906 732702984 /nfs/dbraw/zinc/70/29/84/732702984.db2.gz XGPDYPCAYOXTAC-HKUYNNGSSA-N 2 2 350.551 2.789 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000730103490 734615913 /nfs/dbraw/zinc/61/59/13/734615913.db2.gz DXEKWTOMMIIEIO-RBUKOAKNSA-N 2 2 361.917 2.937 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000730103490 734615916 /nfs/dbraw/zinc/61/59/16/734615916.db2.gz DXEKWTOMMIIEIO-RBUKOAKNSA-N 2 2 361.917 2.937 20 30 FFEDLP CCc1cnc(CCNC(=[NH+]C)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000160034460 845686632 /nfs/dbraw/zinc/68/66/32/845686632.db2.gz BKDYYLVCPXRZFT-GOEBONIOSA-N 2 2 360.531 2.603 20 30 FFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000392888550 845856259 /nfs/dbraw/zinc/85/62/59/845856259.db2.gz MHCAEKXAEBSJOM-UHFFFAOYSA-N 2 2 355.276 2.511 20 30 FFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000392888550 845856265 /nfs/dbraw/zinc/85/62/65/845856265.db2.gz MHCAEKXAEBSJOM-UHFFFAOYSA-N 2 2 355.276 2.511 20 30 FFEDLP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc(F)ccc1F ZINC000262246536 970973824 /nfs/dbraw/zinc/97/38/24/970973824.db2.gz CIUPERYRNNBJMO-MRXNPFEDSA-N 2 2 360.408 2.592 20 30 FFEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc(F)ccc1F ZINC000262246536 970973828 /nfs/dbraw/zinc/97/38/28/970973828.db2.gz CIUPERYRNNBJMO-MRXNPFEDSA-N 2 2 360.408 2.592 20 30 FFEDLP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001104902415 971128314 /nfs/dbraw/zinc/12/83/14/971128314.db2.gz SIMKCFVCBNYZIC-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000330209792 971134291 /nfs/dbraw/zinc/13/42/91/971134291.db2.gz BYOKZVKKEDZAIT-NSISKUIASA-N 2 2 365.481 2.852 20 30 FFEDLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000330209792 971134299 /nfs/dbraw/zinc/13/42/99/971134299.db2.gz BYOKZVKKEDZAIT-NSISKUIASA-N 2 2 365.481 2.852 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001137070101 1013459717 /nfs/dbraw/zinc/45/97/17/1013459717.db2.gz AICSKXHYJYDXFA-UHFFFAOYSA-N 2 2 358.530 2.671 20 30 FFEDLP C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261947479 964862719 /nfs/dbraw/zinc/86/27/19/964862719.db2.gz GHSLALWAQAKYPL-MAUKXSAKSA-N 2 2 365.485 2.726 20 30 FFEDLP C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261947479 964862730 /nfs/dbraw/zinc/86/27/30/964862730.db2.gz GHSLALWAQAKYPL-MAUKXSAKSA-N 2 2 365.485 2.726 20 30 FFEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001104461459 967375942 /nfs/dbraw/zinc/37/59/42/967375942.db2.gz WUYHEEFEYVRTPL-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001087773262 969015025 /nfs/dbraw/zinc/01/50/25/969015025.db2.gz CNTIBRWKJXSVDL-FCHUYYIVSA-N 2 2 367.537 2.739 20 30 FFEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[N@H+]1CC#Cc1ccccc1 ZINC001087773262 969015034 /nfs/dbraw/zinc/01/50/34/969015034.db2.gz CNTIBRWKJXSVDL-FCHUYYIVSA-N 2 2 367.537 2.739 20 30 FFEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001024990621 969444806 /nfs/dbraw/zinc/44/48/06/969444806.db2.gz HWJKVFORWFISEV-KBRIMQKVSA-N 2 2 369.494 2.617 20 30 FFEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC001024990621 969444810 /nfs/dbraw/zinc/44/48/10/969444810.db2.gz HWJKVFORWFISEV-KBRIMQKVSA-N 2 2 369.494 2.617 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001211685570 975187768 /nfs/dbraw/zinc/18/77/68/975187768.db2.gz CPHZOODBUIEDAG-FFZOFVMBSA-N 2 2 352.482 2.749 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211685570 975187770 /nfs/dbraw/zinc/18/77/70/975187770.db2.gz CPHZOODBUIEDAG-FFZOFVMBSA-N 2 2 352.482 2.749 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088709717 975429018 /nfs/dbraw/zinc/42/90/18/975429018.db2.gz RGCPNTRMHCHCHE-UTKZUKDTSA-N 2 2 358.445 2.579 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[N@H+]1CC#Cc1ccccc1 ZINC001088709717 975429023 /nfs/dbraw/zinc/42/90/23/975429023.db2.gz RGCPNTRMHCHCHE-UTKZUKDTSA-N 2 2 358.445 2.579 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990739677 976759489 /nfs/dbraw/zinc/75/94/89/976759489.db2.gz JKCXOHANENWZHD-YXTQBTIXSA-N 2 2 368.525 2.843 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)CCC[C@@H]12 ZINC000990739677 976759498 /nfs/dbraw/zinc/75/94/98/976759498.db2.gz JKCXOHANENWZHD-YXTQBTIXSA-N 2 2 368.525 2.843 20 30 FFEDLP C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087460076 978001159 /nfs/dbraw/zinc/00/11/59/978001159.db2.gz NTPUDKYKXOOXAP-RTBURBONSA-N 2 2 356.445 2.573 20 30 FFEDLP C=CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001087460076 978001166 /nfs/dbraw/zinc/00/11/66/978001166.db2.gz NTPUDKYKXOOXAP-RTBURBONSA-N 2 2 356.445 2.573 20 30 FFEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)[N@H+](C)C1 ZINC000328988929 978043123 /nfs/dbraw/zinc/04/31/23/978043123.db2.gz CNOKISMPIOYNFK-LTDCPUDJSA-N 2 2 361.486 2.603 20 30 FFEDLP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)[N@@H+](C)C1 ZINC000328988929 978043131 /nfs/dbraw/zinc/04/31/31/978043131.db2.gz CNOKISMPIOYNFK-LTDCPUDJSA-N 2 2 361.486 2.603 20 30 FFEDLP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001107449241 984549410 /nfs/dbraw/zinc/54/94/10/984549410.db2.gz BDFCHBZAUJNSNV-TZIWHRDSSA-N 2 2 368.481 2.740 20 30 FFEDLP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001107449241 984549415 /nfs/dbraw/zinc/54/94/15/984549415.db2.gz BDFCHBZAUJNSNV-TZIWHRDSSA-N 2 2 368.481 2.740 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](c3cccnc3)[NH+](C)C)CCC[C@@H]12 ZINC001107647668 984940489 /nfs/dbraw/zinc/94/04/89/984940489.db2.gz SRTJSRSXZWMOBA-SVFBPWRDSA-N 2 2 356.514 2.621 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](c3cccnc3)[NH+](C)C)CCC[C@@H]12 ZINC001107647668 984940499 /nfs/dbraw/zinc/94/04/99/984940499.db2.gz SRTJSRSXZWMOBA-SVFBPWRDSA-N 2 2 356.514 2.621 20 30 FFEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106870068 989772672 /nfs/dbraw/zinc/77/26/72/989772672.db2.gz ZVPRIMZNHZWTIA-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081025915 993553239 /nfs/dbraw/zinc/55/32/39/993553239.db2.gz DGENECPMRNCXMA-CZUORRHYSA-N 2 2 353.894 2.924 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081025915 993553244 /nfs/dbraw/zinc/55/32/44/993553244.db2.gz DGENECPMRNCXMA-CZUORRHYSA-N 2 2 353.894 2.924 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001081219992 993733431 /nfs/dbraw/zinc/73/34/31/993733431.db2.gz VBPPEJMXOUXINL-VQTJNVASSA-N 2 2 352.482 2.513 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1ccccc1 ZINC001081189041 993745350 /nfs/dbraw/zinc/74/53/50/993745350.db2.gz LTZLWVWUAPDZAQ-YZGWKJHDSA-N 2 2 352.482 2.995 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001085046709 998762475 /nfs/dbraw/zinc/76/24/75/998762475.db2.gz SNJQRTRCSRTTBU-CVEARBPZSA-N 2 2 350.894 2.682 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001085046709 998762479 /nfs/dbraw/zinc/76/24/79/998762479.db2.gz SNJQRTRCSRTTBU-CVEARBPZSA-N 2 2 350.894 2.682 20 30 FFEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](CC4CCCCC4)CC3)cnc12 ZINC000744269768 999850159 /nfs/dbraw/zinc/85/01/59/999850159.db2.gz QSQVZRUWTFXKDW-UHFFFAOYSA-N 2 2 352.486 2.735 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000846105886 1000209327 /nfs/dbraw/zinc/20/93/27/1000209327.db2.gz BVFIUOMEHHVPSI-UHFFFAOYSA-N 2 2 365.433 2.747 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001109687058 1000849143 /nfs/dbraw/zinc/84/91/43/1000849143.db2.gz UHRVOAFABJTFBF-BTHPGYMESA-N 2 2 372.488 2.505 20 30 FFEDLP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cc(C#N)ccc1F)[NH+](C)C ZINC001109687058 1000849148 /nfs/dbraw/zinc/84/91/48/1000849148.db2.gz UHRVOAFABJTFBF-BTHPGYMESA-N 2 2 372.488 2.505 20 30 FFEDLP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358523 1001350837 /nfs/dbraw/zinc/35/08/37/1001350837.db2.gz IONFRPQCBKGAJE-KFKAGJAMSA-N 2 2 365.481 2.850 20 30 FFEDLP C[C@@H](CCCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358523 1001350842 /nfs/dbraw/zinc/35/08/42/1001350842.db2.gz IONFRPQCBKGAJE-KFKAGJAMSA-N 2 2 365.481 2.850 20 30 FFEDLP C[NH+](C)CCC(C)(C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183840534 1002407016 /nfs/dbraw/zinc/40/70/16/1002407016.db2.gz HKYPCMLNUWABEH-LJQANCHMSA-N 2 2 356.514 2.759 20 30 FFEDLP C[NH+](C)CCC(C)(C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183840534 1002407019 /nfs/dbraw/zinc/40/70/19/1002407019.db2.gz HKYPCMLNUWABEH-LJQANCHMSA-N 2 2 356.514 2.759 20 30 FFEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086592500 1002536606 /nfs/dbraw/zinc/53/66/06/1002536606.db2.gz QMWRLURURIZYLY-OTWHNJEPSA-N 2 2 350.466 2.531 20 30 FFEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086592500 1002536617 /nfs/dbraw/zinc/53/66/17/1002536617.db2.gz QMWRLURURIZYLY-OTWHNJEPSA-N 2 2 350.466 2.531 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001186196775 1003217505 /nfs/dbraw/zinc/21/75/05/1003217505.db2.gz SNQPARFLZBYBLF-YLJYHZDGSA-N 2 2 370.472 2.889 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001186196775 1003217513 /nfs/dbraw/zinc/21/75/13/1003217513.db2.gz SNQPARFLZBYBLF-YLJYHZDGSA-N 2 2 370.472 2.889 20 30 FFEDLP C[N@@H+](CC#Cc1ccc(F)cc1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001194251862 1004689166 /nfs/dbraw/zinc/68/91/66/1004689166.db2.gz SSSIHWMTKMSKAR-UHFFFAOYSA-N 2 2 365.496 2.927 20 30 FFEDLP C[N@H+](CC#Cc1ccc(F)cc1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001194251862 1004689168 /nfs/dbraw/zinc/68/91/68/1004689168.db2.gz SSSIHWMTKMSKAR-UHFFFAOYSA-N 2 2 365.496 2.927 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)Cc3ccoc3)CC2)cc1 ZINC000883271201 1006724347 /nfs/dbraw/zinc/72/43/47/1006724347.db2.gz HYOUMVJZOMUFEG-HXUWFJFHSA-N 2 2 353.466 2.556 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000883343241 1006758463 /nfs/dbraw/zinc/75/84/63/1006758463.db2.gz GACGNYGSTMNYRP-IBGZPJMESA-N 2 2 353.470 2.574 20 30 FFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000821215794 1008430997 /nfs/dbraw/zinc/43/09/97/1008430997.db2.gz ZRSAOVAZEYSHBD-UHFFFAOYSA-N 2 2 365.477 2.992 20 30 FFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000821215794 1008431000 /nfs/dbraw/zinc/43/10/00/1008431000.db2.gz ZRSAOVAZEYSHBD-UHFFFAOYSA-N 2 2 365.477 2.992 20 30 FFEDLP CN(c1cc(C(F)(F)F)cc(C#N)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865536200 1010809067 /nfs/dbraw/zinc/80/90/67/1010809067.db2.gz YDEVDPSUEQUAMQ-MRXNPFEDSA-N 2 2 367.419 2.577 20 30 FFEDLP CN(c1cc(C(F)(F)F)cc(C#N)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865536200 1010809071 /nfs/dbraw/zinc/80/90/71/1010809071.db2.gz YDEVDPSUEQUAMQ-MRXNPFEDSA-N 2 2 367.419 2.577 20 30 FFEDLP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970028 1012133972 /nfs/dbraw/zinc/13/39/72/1012133972.db2.gz CFZUFJAZYSSNNI-SJORKVTESA-N 2 2 352.523 2.990 20 30 FFEDLP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172970028 1012133982 /nfs/dbraw/zinc/13/39/82/1012133982.db2.gz CFZUFJAZYSSNNI-SJORKVTESA-N 2 2 352.523 2.990 20 30 FFEDLP CC[NH+]1CCC([N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172985448 1012155014 /nfs/dbraw/zinc/15/50/14/1012155014.db2.gz QCKVQIFLXVNPET-SJORKVTESA-N 2 2 350.507 2.694 20 30 FFEDLP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172985448 1012155018 /nfs/dbraw/zinc/15/50/18/1012155018.db2.gz QCKVQIFLXVNPET-SJORKVTESA-N 2 2 350.507 2.694 20 30 FFEDLP C=CCOC1CCC([NH+]2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)CC1 ZINC001173324823 1012443644 /nfs/dbraw/zinc/44/36/44/1012443644.db2.gz VGDFVNXBMMKIOH-XVAXZDLZSA-N 2 2 366.546 2.561 20 30 FFEDLP C=CCOC1CCC([NH+]2CCC[C@@]3(C2)COCC[N@H+](CCOC)C3)CC1 ZINC001173324823 1012443650 /nfs/dbraw/zinc/44/36/50/1012443650.db2.gz VGDFVNXBMMKIOH-XVAXZDLZSA-N 2 2 366.546 2.561 20 30 FFEDLP C=CCOC1CCC([N@@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)CC1 ZINC001173324823 1012443660 /nfs/dbraw/zinc/44/36/60/1012443660.db2.gz VGDFVNXBMMKIOH-XVAXZDLZSA-N 2 2 366.546 2.561 20 30 FFEDLP C=CCOC1CCC([N@H+]2CCC[C@@]3(C2)COCC[NH+](CCOC)C3)CC1 ZINC001173324823 1012443667 /nfs/dbraw/zinc/44/36/67/1012443667.db2.gz VGDFVNXBMMKIOH-XVAXZDLZSA-N 2 2 366.546 2.561 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C)c(C)c1 ZINC001097247966 1017246229 /nfs/dbraw/zinc/24/62/29/1017246229.db2.gz PCBSPEUTSGRXBN-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C)c(C)c1 ZINC001097247966 1017246241 /nfs/dbraw/zinc/24/62/41/1017246241.db2.gz PCBSPEUTSGRXBN-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C)c(C)c1 ZINC001097247966 1017246248 /nfs/dbraw/zinc/24/62/48/1017246248.db2.gz PCBSPEUTSGRXBN-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(C)c(C)c1 ZINC001097247966 1017246262 /nfs/dbraw/zinc/24/62/62/1017246262.db2.gz PCBSPEUTSGRXBN-CZYKHXBRSA-N 2 2 365.521 2.623 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097551090 1017634726 /nfs/dbraw/zinc/63/47/26/1017634726.db2.gz XLFAJKUWOVUPND-NRSPTQNISA-N 2 2 371.444 2.741 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097551090 1017634731 /nfs/dbraw/zinc/63/47/31/1017634731.db2.gz XLFAJKUWOVUPND-NRSPTQNISA-N 2 2 371.444 2.741 20 30 FFEDLP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001097639049 1017740216 /nfs/dbraw/zinc/74/02/16/1017740216.db2.gz NGTJFBRIBHSATO-NJYVYQBISA-N 2 2 365.521 2.634 20 30 FFEDLP CC(C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001097639049 1017740227 /nfs/dbraw/zinc/74/02/27/1017740227.db2.gz NGTJFBRIBHSATO-NJYVYQBISA-N 2 2 365.521 2.634 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2ccc(C#N)s2)CC1 ZINC001098096801 1019502606 /nfs/dbraw/zinc/50/26/06/1019502606.db2.gz HGRCCJIADZUUHP-LZQZEXGQSA-N 2 2 372.538 2.573 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)s2)CC1 ZINC001098096801 1019502614 /nfs/dbraw/zinc/50/26/14/1019502614.db2.gz HGRCCJIADZUUHP-LZQZEXGQSA-N 2 2 372.538 2.573 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111222004 1022465085 /nfs/dbraw/zinc/46/50/85/1022465085.db2.gz KQPLKPTYDWUCOX-MMTROXRISA-N 2 2 365.481 2.957 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111222004 1022465092 /nfs/dbraw/zinc/46/50/92/1022465092.db2.gz KQPLKPTYDWUCOX-MMTROXRISA-N 2 2 365.481 2.957 20 30 FFEDLP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001095862535 1025114068 /nfs/dbraw/zinc/11/40/68/1025114068.db2.gz PUDDOSQCACLONH-AABGKKOBSA-N 2 2 366.509 2.654 20 30 FFEDLP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)[NH+]1CCCC1 ZINC001095862535 1025114074 /nfs/dbraw/zinc/11/40/74/1025114074.db2.gz PUDDOSQCACLONH-AABGKKOBSA-N 2 2 366.509 2.654 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102071574 1025390784 /nfs/dbraw/zinc/39/07/84/1025390784.db2.gz PFPQVMFTQFUSLJ-DJIMGWMZSA-N 2 2 352.910 2.907 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H](C)C1 ZINC001102071574 1025390803 /nfs/dbraw/zinc/39/08/03/1025390803.db2.gz PFPQVMFTQFUSLJ-DJIMGWMZSA-N 2 2 352.910 2.907 20 30 FFEDLP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001103271237 1027135215 /nfs/dbraw/zinc/13/52/15/1027135215.db2.gz FEHCNVBBEFFJEQ-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001103271237 1027135224 /nfs/dbraw/zinc/13/52/24/1027135224.db2.gz FEHCNVBBEFFJEQ-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001103271237 1027135233 /nfs/dbraw/zinc/13/52/33/1027135233.db2.gz FEHCNVBBEFFJEQ-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC001103271237 1027135242 /nfs/dbraw/zinc/13/52/42/1027135242.db2.gz FEHCNVBBEFFJEQ-VAMGGRTRSA-N 2 2 365.562 2.528 20 30 FFEDLP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160947223 1027937663 /nfs/dbraw/zinc/93/76/63/1027937663.db2.gz BMEUTQAWXPJBCP-YPVJZLTNSA-N 2 2 374.488 2.598 20 30 FFEDLP N#Cc1cccc(Oc2nc(Cl)ncc2NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001161873115 1028342249 /nfs/dbraw/zinc/34/22/49/1028342249.db2.gz XAYWNLYWSFRJGB-UHFFFAOYSA-N 2 2 372.860 2.629 20 30 FFEDLP CC(C)(C)C(=O)Nc1ccc(C#N)nc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155063471 1028564450 /nfs/dbraw/zinc/56/44/50/1028564450.db2.gz CJQCWZAZRKYNLE-UHFFFAOYSA-N 2 2 352.442 2.591 20 30 FFEDLP C=CCc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1O ZINC000841043569 1029998544 /nfs/dbraw/zinc/99/85/44/1029998544.db2.gz PKDGNGVPCWCDPR-IBGZPJMESA-N 2 2 355.482 2.985 20 30 FFEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CCCCC1 ZINC001115542008 1031810209 /nfs/dbraw/zinc/81/02/09/1031810209.db2.gz HVILXCMZBJMUTK-RTBURBONSA-N 2 2 368.525 2.586 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1c1ccccc1F ZINC001205659346 1031912349 /nfs/dbraw/zinc/91/23/49/1031912349.db2.gz CCVAYDKZTAYHDW-MOXGXCLJSA-N 2 2 370.472 2.888 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1c1ccccc1F ZINC001205659346 1031912359 /nfs/dbraw/zinc/91/23/59/1031912359.db2.gz CCVAYDKZTAYHDW-MOXGXCLJSA-N 2 2 370.472 2.888 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC001138158717 1033873448 /nfs/dbraw/zinc/87/34/48/1033873448.db2.gz AEAOOWLSFRTTDH-UHFFFAOYSA-N 2 2 371.554 2.930 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001221663825 1034964587 /nfs/dbraw/zinc/96/45/87/1034964587.db2.gz POETXBMSGRYMPA-VQIMIIECSA-N 2 2 360.502 2.629 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001221663825 1034964593 /nfs/dbraw/zinc/96/45/93/1034964593.db2.gz POETXBMSGRYMPA-VQIMIIECSA-N 2 2 360.502 2.629 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001221912572 1035151826 /nfs/dbraw/zinc/15/18/26/1035151826.db2.gz FODREBUWNULHCT-UYAOXDASSA-N 2 2 350.466 2.985 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(-n4cc[nH+]c4)c3)[C@@H]2C1 ZINC001221912572 1035151828 /nfs/dbraw/zinc/15/18/28/1035151828.db2.gz FODREBUWNULHCT-UYAOXDASSA-N 2 2 350.466 2.985 20 30 FFEDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)cc2)CC1 ZINC001140302723 1035425641 /nfs/dbraw/zinc/42/56/41/1035425641.db2.gz YOFLAYXCVIWMLC-LJQANCHMSA-N 2 2 357.523 2.603 20 30 FFEDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)cc2)CC1 ZINC001140302723 1035425643 /nfs/dbraw/zinc/42/56/43/1035425643.db2.gz YOFLAYXCVIWMLC-LJQANCHMSA-N 2 2 357.523 2.603 20 30 FFEDLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001228853987 1036361469 /nfs/dbraw/zinc/36/14/69/1036361469.db2.gz ULUUEIRYXOSEOG-NSISKUIASA-N 2 2 365.481 2.923 20 30 FFEDLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001229301301 1036603115 /nfs/dbraw/zinc/60/31/15/1036603115.db2.gz OJTZCXXQPBHOTJ-QZTJIDSGSA-N 2 2 370.884 2.674 20 30 FFEDLP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001234385083 1037013305 /nfs/dbraw/zinc/01/33/05/1037013305.db2.gz IUJQJOBJPHAFEO-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001234385083 1037013322 /nfs/dbraw/zinc/01/33/22/1037013322.db2.gz IUJQJOBJPHAFEO-CEXWTWQISA-N 2 2 356.514 2.653 20 30 FFEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001230344281 1037238155 /nfs/dbraw/zinc/23/81/55/1037238155.db2.gz MTIYFBSYWVKKIX-WOJBJXKFSA-N 2 2 365.481 2.752 20 30 FFEDLP CC(C)(C)[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001278973593 1038647608 /nfs/dbraw/zinc/64/76/08/1038647608.db2.gz VXUKFIUBSZUSJU-ZHALLVOQSA-N 2 2 365.481 2.706 20 30 FFEDLP CC(C)(C)[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001278973593 1038647610 /nfs/dbraw/zinc/64/76/10/1038647610.db2.gz VXUKFIUBSZUSJU-ZHALLVOQSA-N 2 2 365.481 2.706 20 30 FFEDLP C=C1C[NH2+][C@](C)(c2nc(-c3cccc(C(=O)Cn4cc[nH+]c4C)c3)no2)C1 ZINC001249231536 1040640783 /nfs/dbraw/zinc/64/07/83/1040640783.db2.gz JINLIXHRPMMFFM-FQEVSTJZSA-N 2 2 363.421 2.889 20 30 FFEDLP C[N@@H+]1CCc2c(C#N)c(N=C3CCC([NH+]4CCOCC4)CC3)sc2C1 ZINC001249553235 1040862219 /nfs/dbraw/zinc/86/22/19/1040862219.db2.gz VYVGZSNPUNQFKS-HNNXBMFYSA-N 2 2 358.511 2.788 20 30 FFEDLP C[N@H+]1CCc2c(C#N)c(N=C3CCC([NH+]4CCOCC4)CC3)sc2C1 ZINC001249553235 1040862227 /nfs/dbraw/zinc/86/22/27/1040862227.db2.gz VYVGZSNPUNQFKS-HNNXBMFYSA-N 2 2 358.511 2.788 20 30 FFEDLP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)n1cc[nH+]c1 ZINC001263921603 1042533657 /nfs/dbraw/zinc/53/36/57/1042533657.db2.gz ZBWGFWOXMFEMAS-HRCADAONSA-N 2 2 371.510 2.842 20 30 FFEDLP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(C#N)c3F)(C1)CCC2 ZINC001279134294 1042913453 /nfs/dbraw/zinc/91/34/53/1042913453.db2.gz ZCIZCWJODCEQNU-VQTJNVASSA-N 2 2 362.468 2.923 20 30 FFEDLP Cn1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cc(F)ccn2)CC3)cc1C#N ZINC001279625154 1043361354 /nfs/dbraw/zinc/36/13/54/1043361354.db2.gz CEEXWNYSPKSOOY-UHFFFAOYSA-N 2 2 353.445 2.529 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001316754150 1044906044 /nfs/dbraw/zinc/90/60/44/1044906044.db2.gz JLKANDLFVYKIIH-ZCNNSNEGSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001316754150 1044906054 /nfs/dbraw/zinc/90/60/54/1044906054.db2.gz JLKANDLFVYKIIH-ZCNNSNEGSA-N 2 2 370.541 2.972 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001324395987 1046004765 /nfs/dbraw/zinc/00/47/65/1046004765.db2.gz LDPUREMNROQZBV-WOJBJXKFSA-N 2 2 362.477 2.640 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001324395987 1046004782 /nfs/dbraw/zinc/00/47/82/1046004782.db2.gz LDPUREMNROQZBV-WOJBJXKFSA-N 2 2 362.477 2.640 20 30 FFEDLP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001283351269 1046368386 /nfs/dbraw/zinc/36/83/86/1046368386.db2.gz SHIMEGQUWYZGPW-WOJBJXKFSA-N 2 2 364.493 2.555 20 30 FFEDLP C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC001340505574 1050900616 /nfs/dbraw/zinc/90/06/16/1050900616.db2.gz BAPMNHAWALGZJS-GOSISDBHSA-N 2 2 369.517 2.581 20 30 FFEDLP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(C)[nH+]1 ZINC001341005207 1051342581 /nfs/dbraw/zinc/34/25/81/1051342581.db2.gz DLUNAVFHULMGIV-UHFFFAOYSA-N 2 2 363.465 2.732 20 30 FFEDLP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(C)[nH+]1 ZINC001341005207 1051342595 /nfs/dbraw/zinc/34/25/95/1051342595.db2.gz DLUNAVFHULMGIV-UHFFFAOYSA-N 2 2 363.465 2.732 20 30 FFEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359029400 1056665673 /nfs/dbraw/zinc/66/56/73/1056665673.db2.gz WSSFRKKSMCCVMN-IBGZPJMESA-N 2 2 374.577 2.666 20 30 FFEDLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)CC1 ZINC001473717444 1065330661 /nfs/dbraw/zinc/33/06/61/1065330661.db2.gz WZCFIKHHLXPTDY-OAQYLSRUSA-N 2 2 368.525 2.761 20 30 FFEDLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)CC1 ZINC001473717444 1065330672 /nfs/dbraw/zinc/33/06/72/1065330672.db2.gz WZCFIKHHLXPTDY-OAQYLSRUSA-N 2 2 368.525 2.761 20 30 FFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001560488694 1076275740 /nfs/dbraw/zinc/27/57/40/1076275740.db2.gz OREPLFTUEIAZPI-UHFFFAOYSA-N 2 2 364.415 2.995 20 30 FFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001560488694 1076275742 /nfs/dbraw/zinc/27/57/42/1076275742.db2.gz OREPLFTUEIAZPI-UHFFFAOYSA-N 2 2 364.415 2.995 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCCC34OCCO4)CC2)cc1 ZINC001561046184 1076324039 /nfs/dbraw/zinc/32/40/39/1076324039.db2.gz FIHOZBMZHAULMH-FQEVSTJZSA-N 2 2 355.482 2.798 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](CC#N)c3ccccc3)CC2)CC1 ZINC001570442311 1077206372 /nfs/dbraw/zinc/20/63/72/1077206372.db2.gz OHMDEWSIOCNTOL-OAQYLSRUSA-N 2 2 368.525 2.702 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](CC#N)c3ccccc3)CC2)CC1 ZINC001570442311 1077206375 /nfs/dbraw/zinc/20/63/75/1077206375.db2.gz OHMDEWSIOCNTOL-OAQYLSRUSA-N 2 2 368.525 2.702 20 30 FFEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000410412707 512255844 /nfs/dbraw/zinc/25/58/44/512255844.db2.gz DWPBATQTZVCRTK-ACRUOGEOSA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1=O ZINC000410412707 512255848 /nfs/dbraw/zinc/25/58/48/512255848.db2.gz DWPBATQTZVCRTK-ACRUOGEOSA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1=O ZINC000410412707 512255852 /nfs/dbraw/zinc/25/58/52/512255852.db2.gz DWPBATQTZVCRTK-ACRUOGEOSA-N 2 2 353.510 2.760 20 30 FFEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1=O ZINC000410412707 512255855 /nfs/dbraw/zinc/25/58/55/512255855.db2.gz DWPBATQTZVCRTK-ACRUOGEOSA-N 2 2 353.510 2.760 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324744 512351912 /nfs/dbraw/zinc/35/19/12/512351912.db2.gz FVJLHJBAIOJARJ-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324744 512351916 /nfs/dbraw/zinc/35/19/16/512351916.db2.gz FVJLHJBAIOJARJ-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324744 512351921 /nfs/dbraw/zinc/35/19/21/512351921.db2.gz FVJLHJBAIOJARJ-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000369324744 512351924 /nfs/dbraw/zinc/35/19/24/512351924.db2.gz FVJLHJBAIOJARJ-NQIIRXRSSA-N 2 2 368.525 2.761 20 30 FFEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072858069 507864872 /nfs/dbraw/zinc/86/48/72/507864872.db2.gz MIDDOXPHRNDWRK-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072858069 507864873 /nfs/dbraw/zinc/86/48/73/507864873.db2.gz MIDDOXPHRNDWRK-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072858069 507864875 /nfs/dbraw/zinc/86/48/75/507864875.db2.gz MIDDOXPHRNDWRK-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072858069 507864876 /nfs/dbraw/zinc/86/48/76/507864876.db2.gz MIDDOXPHRNDWRK-IBGZPJMESA-N 2 2 356.514 2.824 20 30 FFEDLP C[NH+]1CCC(CNc2c(C#N)nnc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000078457692 507872993 /nfs/dbraw/zinc/87/29/93/507872993.db2.gz ZFWWVNGSMWQPEF-UHFFFAOYSA-N 2 2 364.497 2.864 20 30 FFEDLP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)c1ccc(C#N)cc1Cl ZINC000375516492 512373136 /nfs/dbraw/zinc/37/31/36/512373136.db2.gz CBIDPIFXVMYBSU-PZDGAKPMSA-N 2 2 357.845 2.616 20 30 FFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147225 508124512 /nfs/dbraw/zinc/12/45/12/508124512.db2.gz SRGBBVMWYZRROR-UYAOXDASSA-N 2 2 356.514 2.579 20 30 FFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093147225 508124515 /nfs/dbraw/zinc/12/45/15/508124515.db2.gz SRGBBVMWYZRROR-UYAOXDASSA-N 2 2 356.514 2.579 20 30 FFEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000093665495 508151799 /nfs/dbraw/zinc/15/17/99/508151799.db2.gz RTWASUOHTOAEEW-LJQANCHMSA-N 2 2 360.498 2.804 20 30 FFEDLP C=C(C)COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000093665495 508151802 /nfs/dbraw/zinc/15/18/02/508151802.db2.gz RTWASUOHTOAEEW-LJQANCHMSA-N 2 2 360.498 2.804 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123294448 508665252 /nfs/dbraw/zinc/66/52/52/508665252.db2.gz YRTAPUWOHMMZLA-MOPGFXCFSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123294448 508665257 /nfs/dbraw/zinc/66/52/57/508665257.db2.gz YRTAPUWOHMMZLA-MOPGFXCFSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123294448 508665261 /nfs/dbraw/zinc/66/52/61/508665261.db2.gz YRTAPUWOHMMZLA-MOPGFXCFSA-N 2 2 356.514 2.965 20 30 FFEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123294448 508665263 /nfs/dbraw/zinc/66/52/63/508665263.db2.gz YRTAPUWOHMMZLA-MOPGFXCFSA-N 2 2 356.514 2.965 20 30 FFEDLP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 ZINC000248726763 509454443 /nfs/dbraw/zinc/45/44/43/509454443.db2.gz IHMPOIBGRKQUCA-VDGAXYAQSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 ZINC000248726763 509454449 /nfs/dbraw/zinc/45/44/49/509454449.db2.gz IHMPOIBGRKQUCA-VDGAXYAQSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 ZINC000248726763 509454453 /nfs/dbraw/zinc/45/44/53/509454453.db2.gz IHMPOIBGRKQUCA-VDGAXYAQSA-N 2 2 354.498 2.716 20 30 FFEDLP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 ZINC000248726763 509454461 /nfs/dbraw/zinc/45/44/61/509454461.db2.gz IHMPOIBGRKQUCA-VDGAXYAQSA-N 2 2 354.498 2.716 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267398063 509466832 /nfs/dbraw/zinc/46/68/32/509466832.db2.gz FIMBBBNPZZNLHU-ZEVUXNIQSA-N 2 2 357.502 2.908 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267398063 509466838 /nfs/dbraw/zinc/46/68/38/509466838.db2.gz FIMBBBNPZZNLHU-ZEVUXNIQSA-N 2 2 357.502 2.908 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000264461056 509541881 /nfs/dbraw/zinc/54/18/81/509541881.db2.gz GHVOWUFRYFLJBL-IBGZPJMESA-N 2 2 359.539 2.543 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173398550 509573777 /nfs/dbraw/zinc/57/37/77/509573777.db2.gz PJOLVZGFRKJOSI-INIZCTEOSA-N 2 2 365.543 2.628 20 30 FFEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000268146246 509780010 /nfs/dbraw/zinc/78/00/10/509780010.db2.gz QQCBMJSDQQMBLQ-MRXNPFEDSA-N 2 2 369.469 2.803 20 30 FFEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000268146246 509780016 /nfs/dbraw/zinc/78/00/16/509780016.db2.gz QQCBMJSDQQMBLQ-MRXNPFEDSA-N 2 2 369.469 2.803 20 30 FFEDLP CC[NH+]=C(NCCc1csc(C)n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261932374 510119915 /nfs/dbraw/zinc/11/99/15/510119915.db2.gz BOCALNDGSCFATM-YOEHRIQHSA-N 2 2 360.531 2.739 20 30 FFEDLP C[NH+]=C(NC[C@H](c1ccsc1)N(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261980172 510135353 /nfs/dbraw/zinc/13/53/53/510135353.db2.gz OSAPSDMROZZOGB-KBAYOESNSA-N 2 2 374.558 2.706 20 30 FFEDLP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261988724 510139128 /nfs/dbraw/zinc/13/91/28/510139128.db2.gz QTBVNQJXXABIQX-GJZGRUSLSA-N 2 2 358.490 2.827 20 30 FFEDLP N#Cc1ccc2ncc(C[NH2+]CC3(C[NH+]4CCOCC4)CCCCC3)n2c1 ZINC000177597210 510153710 /nfs/dbraw/zinc/15/37/10/510153710.db2.gz WEYLKWPFGVIPNN-UHFFFAOYSA-N 2 2 367.497 2.578 20 30 FFEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000181091040 510274122 /nfs/dbraw/zinc/27/41/22/510274122.db2.gz KJQFMTIQOFJCOE-UHFFFAOYSA-N 2 2 359.861 2.805 20 30 FFEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000181091040 510274126 /nfs/dbraw/zinc/27/41/26/510274126.db2.gz KJQFMTIQOFJCOE-UHFFFAOYSA-N 2 2 359.861 2.805 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)CC1 ZINC000171705250 510318641 /nfs/dbraw/zinc/31/86/41/510318641.db2.gz TXZOPSIHXGXECE-GOSISDBHSA-N 2 2 371.460 2.598 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000181482043 510432490 /nfs/dbraw/zinc/43/24/90/510432490.db2.gz GHZTWHRHFZIKOL-UHFFFAOYSA-N 2 2 372.476 2.893 20 30 FFEDLP C[N@H+](CCOc1cccc(C#N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188294328 510693937 /nfs/dbraw/zinc/69/39/37/510693937.db2.gz FJJWYNYOBIXRHA-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[N@@H+](CCOc1cccc(C#N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188294328 510693945 /nfs/dbraw/zinc/69/39/45/510693945.db2.gz FJJWYNYOBIXRHA-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1cccc(C#N)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188294328 510693950 /nfs/dbraw/zinc/69/39/50/510693950.db2.gz FJJWYNYOBIXRHA-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP C[NH+](CCOc1cccc(C#N)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188294328 510693959 /nfs/dbraw/zinc/69/39/59/510693959.db2.gz FJJWYNYOBIXRHA-QFIPXVFZSA-N 2 2 365.477 2.506 20 30 FFEDLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330215386 510939284 /nfs/dbraw/zinc/93/92/84/510939284.db2.gz GYZUZLPYGNQUJH-KRWDZBQOSA-N 2 2 371.485 2.917 20 30 FFEDLP NC(=O)C1CCN(c2[nH+]cccc2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330215386 510939288 /nfs/dbraw/zinc/93/92/88/510939288.db2.gz GYZUZLPYGNQUJH-KRWDZBQOSA-N 2 2 371.485 2.917 20 30 FFEDLP CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330321092 510963647 /nfs/dbraw/zinc/96/36/47/510963647.db2.gz SAPRIZPIGYCGAA-CQSZACIVSA-N 2 2 352.504 2.562 20 30 FFEDLP CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000330321092 510963649 /nfs/dbraw/zinc/96/36/49/510963649.db2.gz SAPRIZPIGYCGAA-CQSZACIVSA-N 2 2 352.504 2.562 20 30 FFEDLP C[N@H+](CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000327034885 511868562 /nfs/dbraw/zinc/86/85/62/511868562.db2.gz NLQDLLITJAUCEU-UHFFFAOYSA-N 2 2 363.527 2.576 20 30 FFEDLP C[N@@H+](CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000327034885 511868568 /nfs/dbraw/zinc/86/85/68/511868568.db2.gz NLQDLLITJAUCEU-UHFFFAOYSA-N 2 2 363.527 2.576 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000328602909 511891146 /nfs/dbraw/zinc/89/11/46/511891146.db2.gz HIPMSQMGPJLPBT-AEFFLSMTSA-N 2 2 359.518 2.921 20 30 FFEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000328602909 511891151 /nfs/dbraw/zinc/89/11/51/511891151.db2.gz HIPMSQMGPJLPBT-AEFFLSMTSA-N 2 2 359.518 2.921 20 30 FFEDLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[NH+](C)CC3)n2)C1 ZINC000328828609 511937993 /nfs/dbraw/zinc/93/79/93/511937993.db2.gz JXUVYNFZRRTZCQ-AWEZNQCLSA-N 2 2 351.520 2.558 20 30 FFEDLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[NH+](C)CC3)n2)C1 ZINC000328828609 511937996 /nfs/dbraw/zinc/93/79/96/511937996.db2.gz JXUVYNFZRRTZCQ-AWEZNQCLSA-N 2 2 351.520 2.558 20 30 FFEDLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@H+](C)CC3)n2)C1 ZINC000328828609 511937999 /nfs/dbraw/zinc/93/79/99/511937999.db2.gz JXUVYNFZRRTZCQ-AWEZNQCLSA-N 2 2 351.520 2.558 20 30 FFEDLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@@H+](C)CC3)n2)C1 ZINC000328828609 511938001 /nfs/dbraw/zinc/93/80/01/511938001.db2.gz JXUVYNFZRRTZCQ-AWEZNQCLSA-N 2 2 351.520 2.558 20 30 FFEDLP COc1cc(C)[nH+]c(CN2CC[NH+](CC(=O)NC3CCCCC3)CC2)c1 ZINC000328885779 511945028 /nfs/dbraw/zinc/94/50/28/511945028.db2.gz ZJNFQAQQEVLCNX-UHFFFAOYSA-N 2 2 360.502 2.805 20 30 FFEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000364231647 512033706 /nfs/dbraw/zinc/03/37/06/512033706.db2.gz OKRFGNSWZKRCAI-LJQANCHMSA-N 2 2 365.443 2.769 20 30 FFEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000364231647 512033710 /nfs/dbraw/zinc/03/37/10/512033710.db2.gz OKRFGNSWZKRCAI-LJQANCHMSA-N 2 2 365.443 2.769 20 30 FFEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C)C1([NH+]3CCOCC3)CCCC1)C2 ZINC000329543276 512067528 /nfs/dbraw/zinc/06/75/28/512067528.db2.gz YFXJGNIIHYRFCN-RDJZCZTQSA-N 2 2 360.502 2.744 20 30 FFEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C1 ZINC000378358113 512714522 /nfs/dbraw/zinc/71/45/22/512714522.db2.gz YFGAGEGGMNHCNU-HXUWFJFHSA-N 2 2 356.514 2.581 20 30 FFEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C1 ZINC000378358113 512714527 /nfs/dbraw/zinc/71/45/27/512714527.db2.gz YFGAGEGGMNHCNU-HXUWFJFHSA-N 2 2 356.514 2.581 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000390635632 512909413 /nfs/dbraw/zinc/90/94/13/512909413.db2.gz FMJQOIAZFXRPAN-SFTDATJTSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000390635632 512909416 /nfs/dbraw/zinc/90/94/16/512909416.db2.gz FMJQOIAZFXRPAN-SFTDATJTSA-N 2 2 365.477 2.552 20 30 FFEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000418138333 513387782 /nfs/dbraw/zinc/38/77/82/513387782.db2.gz CQVYIGZCJADCMP-HXUWFJFHSA-N 2 2 355.482 2.943 20 30 FFEDLP N#CCCn1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2ccncc2)n1 ZINC000435060555 513501480 /nfs/dbraw/zinc/50/14/80/513501480.db2.gz UBJGHCUFRHMEHH-HXUWFJFHSA-N 2 2 374.448 2.907 20 30 FFEDLP N#CCCn1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2ccncc2)n1 ZINC000435060555 513501485 /nfs/dbraw/zinc/50/14/85/513501485.db2.gz UBJGHCUFRHMEHH-HXUWFJFHSA-N 2 2 374.448 2.907 20 30 FFEDLP CC[NH+]1CCC([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435124568 513518167 /nfs/dbraw/zinc/51/81/67/513518167.db2.gz QUZNTBKSFOUDJJ-UHFFFAOYSA-N 2 2 352.486 2.775 20 30 FFEDLP CC[NH+]1CCC([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435124568 513518174 /nfs/dbraw/zinc/51/81/74/513518174.db2.gz QUZNTBKSFOUDJJ-UHFFFAOYSA-N 2 2 352.486 2.775 20 30 FFEDLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424179853 514408307 /nfs/dbraw/zinc/40/83/07/514408307.db2.gz ZTYYKUXHTZGRON-IKGGRYGDSA-N 2 2 366.868 2.752 20 30 FFEDLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424179853 514408311 /nfs/dbraw/zinc/40/83/11/514408311.db2.gz ZTYYKUXHTZGRON-IKGGRYGDSA-N 2 2 366.868 2.752 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471004337 514713320 /nfs/dbraw/zinc/71/33/20/514713320.db2.gz CFQSALGFQSPSLB-UIFIKXQLSA-N 2 2 374.488 2.949 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471004337 514713329 /nfs/dbraw/zinc/71/33/29/514713329.db2.gz CFQSALGFQSPSLB-UIFIKXQLSA-N 2 2 374.488 2.949 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471004337 514713337 /nfs/dbraw/zinc/71/33/37/514713337.db2.gz CFQSALGFQSPSLB-UIFIKXQLSA-N 2 2 374.488 2.949 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471004337 514713345 /nfs/dbraw/zinc/71/33/45/514713345.db2.gz CFQSALGFQSPSLB-UIFIKXQLSA-N 2 2 374.488 2.949 20 30 FFEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(Cl)s1 ZINC000508772923 514889639 /nfs/dbraw/zinc/88/96/39/514889639.db2.gz IZEIICNXNNQVMG-UHFFFAOYSA-N 2 2 355.935 2.990 20 30 FFEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(Cl)s1 ZINC000508772923 514889648 /nfs/dbraw/zinc/88/96/48/514889648.db2.gz IZEIICNXNNQVMG-UHFFFAOYSA-N 2 2 355.935 2.990 20 30 FFEDLP C=CCn1c(C2CCC2)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000508792787 514895509 /nfs/dbraw/zinc/89/55/09/514895509.db2.gz FVLYSVFVEUYCTF-UHFFFAOYSA-N 2 2 372.561 2.726 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472501053 515294719 /nfs/dbraw/zinc/29/47/19/515294719.db2.gz MQHRGUBQXOIGJH-FVOGYEMRSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000472501053 515294726 /nfs/dbraw/zinc/29/47/26/515294726.db2.gz MQHRGUBQXOIGJH-FVOGYEMRSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000472501053 515294735 /nfs/dbraw/zinc/29/47/35/515294735.db2.gz MQHRGUBQXOIGJH-FVOGYEMRSA-N 2 2 374.573 2.969 20 30 FFEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000472501053 515294745 /nfs/dbraw/zinc/29/47/45/515294745.db2.gz MQHRGUBQXOIGJH-FVOGYEMRSA-N 2 2 374.573 2.969 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000463117396 515375494 /nfs/dbraw/zinc/37/54/94/515375494.db2.gz VDZOAJSCECKONS-UHFFFAOYSA-N 2 2 366.440 2.890 20 30 FFEDLP C=CC[N@H+](CCc1ccco1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000491344173 515417401 /nfs/dbraw/zinc/41/74/01/515417401.db2.gz XFWRPEFEDFSFKY-UHFFFAOYSA-N 2 2 373.522 2.716 20 30 FFEDLP C=CC[N@@H+](CCc1ccco1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000491344173 515417411 /nfs/dbraw/zinc/41/74/11/515417411.db2.gz XFWRPEFEDFSFKY-UHFFFAOYSA-N 2 2 373.522 2.716 20 30 FFEDLP C=CCN(CC=C)C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809604 515969279 /nfs/dbraw/zinc/96/92/79/515969279.db2.gz MPSOCEZVIWLPQR-UHFFFAOYSA-N 2 2 356.514 2.821 20 30 FFEDLP C=CCN(CC=C)C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000464809604 515969287 /nfs/dbraw/zinc/96/92/87/515969287.db2.gz MPSOCEZVIWLPQR-UHFFFAOYSA-N 2 2 356.514 2.821 20 30 FFEDLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000512011678 516116060 /nfs/dbraw/zinc/11/60/60/516116060.db2.gz ZVZBBEQXGRCBSE-HNNXBMFYSA-N 2 2 373.501 2.974 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc(F)c(C#N)c3)CCC[NH+]2C)cn1 ZINC000548352358 516929454 /nfs/dbraw/zinc/92/94/54/516929454.db2.gz BMZBBJQALUGAFU-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc(F)c(C#N)c3)CCC[NH+]2C)cn1 ZINC000548352358 516929461 /nfs/dbraw/zinc/92/94/61/516929461.db2.gz BMZBBJQALUGAFU-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(F)c(C#N)c3)CCC[N@@H+]2C)cn1 ZINC000548352358 516929469 /nfs/dbraw/zinc/92/94/69/516929469.db2.gz BMZBBJQALUGAFU-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(F)c(C#N)c3)CCC[N@H+]2C)cn1 ZINC000548352358 516929479 /nfs/dbraw/zinc/92/94/79/516929479.db2.gz BMZBBJQALUGAFU-OXJNMPFZSA-N 2 2 355.461 2.946 20 30 FFEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000552029065 517038803 /nfs/dbraw/zinc/03/88/03/517038803.db2.gz AWGKGYZEZYCRSC-UIFIKXQLSA-N 2 2 365.477 2.723 20 30 FFEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000552029065 517038810 /nfs/dbraw/zinc/03/88/10/517038810.db2.gz AWGKGYZEZYCRSC-UIFIKXQLSA-N 2 2 365.477 2.723 20 30 FFEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000572881737 518405608 /nfs/dbraw/zinc/40/56/08/518405608.db2.gz HYEALZDKJMVGSG-QGZVFWFLSA-N 2 2 352.486 2.545 20 30 FFEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000572881737 518405611 /nfs/dbraw/zinc/40/56/11/518405611.db2.gz HYEALZDKJMVGSG-QGZVFWFLSA-N 2 2 352.486 2.545 20 30 FFEDLP C[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000578990988 518469470 /nfs/dbraw/zinc/46/94/70/518469470.db2.gz AMBYOJFUEQLQAT-KRWDZBQOSA-N 2 2 351.454 2.509 20 30 FFEDLP N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nc1 ZINC000579070761 518503721 /nfs/dbraw/zinc/50/37/21/518503721.db2.gz RVMUGVBHLOBELX-INIZCTEOSA-N 2 2 351.435 2.854 20 30 FFEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nc1 ZINC000579070761 518503730 /nfs/dbraw/zinc/50/37/30/518503730.db2.gz RVMUGVBHLOBELX-INIZCTEOSA-N 2 2 351.435 2.854 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000570407483 518592930 /nfs/dbraw/zinc/59/29/30/518592930.db2.gz CQPAJOUIMATHCB-JKSUJKDBSA-N 2 2 358.511 2.874 20 30 FFEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000570407483 518592941 /nfs/dbraw/zinc/59/29/41/518592941.db2.gz CQPAJOUIMATHCB-JKSUJKDBSA-N 2 2 358.511 2.874 20 30 FFEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C1 ZINC000589497895 519018667 /nfs/dbraw/zinc/01/86/67/519018667.db2.gz GRUKSDUAMDTVSD-KRWDZBQOSA-N 2 2 366.431 2.789 20 30 FFEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C1 ZINC000589497895 519018669 /nfs/dbraw/zinc/01/86/69/519018669.db2.gz GRUKSDUAMDTVSD-KRWDZBQOSA-N 2 2 366.431 2.789 20 30 FFEDLP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000602948110 519987336 /nfs/dbraw/zinc/98/73/36/519987336.db2.gz ACEUZOBCBKDGNG-LJQANCHMSA-N 2 2 357.498 2.638 20 30 FFEDLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602976939 520002395 /nfs/dbraw/zinc/00/23/95/520002395.db2.gz VNGCZNNOJOMVML-WOJBJXKFSA-N 2 2 354.498 2.523 20 30 FFEDLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602976939 520002401 /nfs/dbraw/zinc/00/24/01/520002401.db2.gz VNGCZNNOJOMVML-WOJBJXKFSA-N 2 2 354.498 2.523 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609635673 520390033 /nfs/dbraw/zinc/39/00/33/520390033.db2.gz FNHMKJRJNQSNKZ-QFBILLFUSA-N 2 2 369.444 2.994 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609635673 520390040 /nfs/dbraw/zinc/39/00/40/520390040.db2.gz FNHMKJRJNQSNKZ-QFBILLFUSA-N 2 2 369.444 2.994 20 30 FFEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cnc12 ZINC000592510063 520429740 /nfs/dbraw/zinc/42/97/40/520429740.db2.gz PLIFLZGFEHJBMF-MRXNPFEDSA-N 2 2 361.453 2.513 20 30 FFEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cnc12 ZINC000592510063 520429746 /nfs/dbraw/zinc/42/97/46/520429746.db2.gz PLIFLZGFEHJBMF-MRXNPFEDSA-N 2 2 361.453 2.513 20 30 FFEDLP Cn1nc2c(c1C[NH2+]C1CC[NH+](Cc3cccc(C#N)c3)CC1)CCCC2 ZINC000601130133 520650918 /nfs/dbraw/zinc/65/09/18/520650918.db2.gz FLHKQQMDCKBBBN-UHFFFAOYSA-N 2 2 363.509 2.925 20 30 FFEDLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598615663 520744110 /nfs/dbraw/zinc/74/41/10/520744110.db2.gz QXDHIHOVCDEZJZ-CVEARBPZSA-N 2 2 362.543 2.730 20 30 FFEDLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598615663 520744117 /nfs/dbraw/zinc/74/41/17/520744117.db2.gz QXDHIHOVCDEZJZ-CVEARBPZSA-N 2 2 362.543 2.730 20 30 FFEDLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596173886 520951660 /nfs/dbraw/zinc/95/16/60/520951660.db2.gz BPJMYGFQZAIGOA-JJTKIYQPSA-N 2 2 369.469 2.522 20 30 FFEDLP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596173886 520951663 /nfs/dbraw/zinc/95/16/63/520951663.db2.gz BPJMYGFQZAIGOA-JJTKIYQPSA-N 2 2 369.469 2.522 20 30 FFEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000611387963 521132238 /nfs/dbraw/zinc/13/22/38/521132238.db2.gz IZZDMUUXLIZONU-GOSISDBHSA-N 2 2 362.477 2.553 20 30 FFEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(C#N)c1 ZINC000611387617 521132379 /nfs/dbraw/zinc/13/23/79/521132379.db2.gz QSJKOMWJKAZQDP-MRXNPFEDSA-N 2 2 368.506 2.615 20 30 FFEDLP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)cc12 ZINC000593693364 521160675 /nfs/dbraw/zinc/16/06/75/521160675.db2.gz WCSMONJUYCVZEE-UHFFFAOYSA-N 2 2 374.492 2.903 20 30 FFEDLP C=C(Br)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591306 730346284 /nfs/dbraw/zinc/34/62/84/730346284.db2.gz MIUFAHDJCXNUFZ-MRXNPFEDSA-N 2 2 354.292 2.895 20 30 FFEDLP C=C(Br)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591306 730346285 /nfs/dbraw/zinc/34/62/85/730346285.db2.gz MIUFAHDJCXNUFZ-MRXNPFEDSA-N 2 2 354.292 2.895 20 30 FFEDLP C=C(Br)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591306 730346287 /nfs/dbraw/zinc/34/62/87/730346287.db2.gz MIUFAHDJCXNUFZ-MRXNPFEDSA-N 2 2 354.292 2.895 20 30 FFEDLP C=C(Br)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591306 730346291 /nfs/dbraw/zinc/34/62/91/730346291.db2.gz MIUFAHDJCXNUFZ-MRXNPFEDSA-N 2 2 354.292 2.895 20 30 FFEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000876945280 732301279 /nfs/dbraw/zinc/30/12/79/732301279.db2.gz XGLHPCDPWKIQGW-UHFFFAOYSA-N 2 2 356.857 2.729 20 30 FFEDLP C[NH+]1CCC(CNc2cc(C#N)sc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000892695145 734592096 /nfs/dbraw/zinc/59/20/96/734592096.db2.gz GPKNXBGBPZENRA-UHFFFAOYSA-N 2 2 363.487 2.890 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039205525 742989785 /nfs/dbraw/zinc/98/97/85/742989785.db2.gz UEHCLXWTVCYDFW-BRWVUGGUSA-N 2 2 362.905 2.826 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001039205525 742989789 /nfs/dbraw/zinc/98/97/89/742989789.db2.gz UEHCLXWTVCYDFW-BRWVUGGUSA-N 2 2 362.905 2.826 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046951415 743341599 /nfs/dbraw/zinc/34/15/99/743341599.db2.gz KVVNUHTVUOXUNL-RBSFLKMASA-N 2 2 352.429 2.553 20 30 FFEDLP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046951415 743341607 /nfs/dbraw/zinc/34/16/07/743341607.db2.gz KVVNUHTVUOXUNL-RBSFLKMASA-N 2 2 352.429 2.553 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046951415 743341615 /nfs/dbraw/zinc/34/16/15/743341615.db2.gz KVVNUHTVUOXUNL-RBSFLKMASA-N 2 2 352.429 2.553 20 30 FFEDLP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001046951415 743341625 /nfs/dbraw/zinc/34/16/25/743341625.db2.gz KVVNUHTVUOXUNL-RBSFLKMASA-N 2 2 352.429 2.553 20 30 FFEDLP Cc1cc(C#N)cc(C)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000895604474 970772277 /nfs/dbraw/zinc/77/22/77/970772277.db2.gz BZIJSRHXZCDQMQ-UHFFFAOYSA-N 2 2 368.525 2.855 20 30 FFEDLP C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)sc2C1 ZINC001175070393 1013384087 /nfs/dbraw/zinc/38/40/87/1013384087.db2.gz SPWCKKOTHZFPDB-NALNUFGESA-N 2 2 372.538 2.565 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001270321214 964952562 /nfs/dbraw/zinc/95/25/62/964952562.db2.gz PXQVZAKBGGNCPP-CQQBRXBZSA-N 2 2 354.498 2.796 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001270321214 964952580 /nfs/dbraw/zinc/95/25/80/964952580.db2.gz PXQVZAKBGGNCPP-CQQBRXBZSA-N 2 2 354.498 2.796 20 30 FFEDLP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482386686 967444928 /nfs/dbraw/zinc/44/49/28/967444928.db2.gz ILNOHFMFVKPWSY-IAOVAPTHSA-N 2 2 371.510 2.767 20 30 FFEDLP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482386686 967444938 /nfs/dbraw/zinc/44/49/38/967444938.db2.gz ILNOHFMFVKPWSY-IAOVAPTHSA-N 2 2 371.510 2.767 20 30 FFEDLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087240573 967710639 /nfs/dbraw/zinc/71/06/39/967710639.db2.gz JDCDDSMDPWWCRZ-BEFAXECRSA-N 2 2 365.481 2.549 20 30 FFEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262386484 968057237 /nfs/dbraw/zinc/05/72/37/968057237.db2.gz HUTNSFQPRZRZBP-ISARSNTHSA-N 2 2 374.529 2.785 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC001211620633 968120644 /nfs/dbraw/zinc/12/06/44/968120644.db2.gz XZOXNGFHTIYFQL-FTEYMNFISA-N 2 2 350.466 2.674 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001211620633 968120651 /nfs/dbraw/zinc/12/06/51/968120651.db2.gz XZOXNGFHTIYFQL-FTEYMNFISA-N 2 2 350.466 2.674 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1c1ccccc1 ZINC001211625650 968275858 /nfs/dbraw/zinc/27/58/58/968275858.db2.gz QHFHLUWOPXBUHJ-SESVDKBCSA-N 2 2 364.493 2.606 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2C)[C@@H]1CC ZINC001087607179 968343659 /nfs/dbraw/zinc/34/36/59/968343659.db2.gz PICLQMHJTLHZAF-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)cccc2C)[C@@H]1CC ZINC001087607179 968343666 /nfs/dbraw/zinc/34/36/66/968343666.db2.gz PICLQMHJTLHZAF-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)cccc2C)[C@@H]1CC ZINC001087607179 968343675 /nfs/dbraw/zinc/34/36/75/968343675.db2.gz PICLQMHJTLHZAF-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)cccc2C)[C@@H]1CC ZINC001087607179 968343682 /nfs/dbraw/zinc/34/36/82/968343682.db2.gz PICLQMHJTLHZAF-BDTNDASRSA-N 2 2 367.537 2.870 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001087438881 977377766 /nfs/dbraw/zinc/37/77/66/977377766.db2.gz VBSSHYRFUKPSKM-WOJBJXKFSA-N 2 2 364.493 2.614 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001087438881 977377778 /nfs/dbraw/zinc/37/77/78/977377778.db2.gz VBSSHYRFUKPSKM-WOJBJXKFSA-N 2 2 364.493 2.614 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)CC1 ZINC000894228375 978346208 /nfs/dbraw/zinc/34/62/08/978346208.db2.gz BONLJVAMUWAMLB-UHFFFAOYSA-N 2 2 359.445 2.844 20 30 FFEDLP CC[NH+]=C(NCc1cccc2c1OCO2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159984121 979480488 /nfs/dbraw/zinc/48/04/88/979480488.db2.gz AJBJQSSDLQJOHN-RDJZCZTQSA-N 2 2 369.469 2.660 20 30 FFEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088604946 981419722 /nfs/dbraw/zinc/41/97/22/981419722.db2.gz ALTIFEFVRAHAFC-LSTHTHJFSA-N 2 2 354.498 2.512 20 30 FFEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001088604946 981419725 /nfs/dbraw/zinc/41/97/25/981419725.db2.gz ALTIFEFVRAHAFC-LSTHTHJFSA-N 2 2 354.498 2.512 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088604946 981419727 /nfs/dbraw/zinc/41/97/27/981419727.db2.gz ALTIFEFVRAHAFC-LSTHTHJFSA-N 2 2 354.498 2.512 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001088604946 981419730 /nfs/dbraw/zinc/41/97/30/981419730.db2.gz ALTIFEFVRAHAFC-LSTHTHJFSA-N 2 2 354.498 2.512 20 30 FFEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC000651701249 1015334453 /nfs/dbraw/zinc/33/44/53/1015334453.db2.gz KBUQTRPVVCIBAE-QYZOEREBSA-N 2 2 371.529 2.616 20 30 FFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC001106869852 989772426 /nfs/dbraw/zinc/77/24/26/989772426.db2.gz OPQCVUMZCDUALB-KZNAEPCWSA-N 2 2 367.497 2.920 20 30 FFEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1c1ccc(F)cc1 ZINC001079162709 991868148 /nfs/dbraw/zinc/86/81/48/991868148.db2.gz XSZNEWBYGSPLJZ-VQTJNVASSA-N 2 2 370.472 2.652 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccccc1F ZINC001079293512 991980424 /nfs/dbraw/zinc/98/04/24/991980424.db2.gz DFQWLYJAIFBHJB-FUHWJXTLSA-N 2 2 356.445 2.642 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1ccccc1 ZINC001081213823 993727659 /nfs/dbraw/zinc/72/76/59/993727659.db2.gz QZDOULXNKAXGFW-ZWKOTPCHSA-N 2 2 352.482 2.848 20 30 FFEDLP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001054052606 1015936227 /nfs/dbraw/zinc/93/62/27/1015936227.db2.gz BXZVWSXEUXRSHS-XUVXKRRUSA-N 2 2 364.493 2.643 20 30 FFEDLP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001054052606 1015936235 /nfs/dbraw/zinc/93/62/35/1015936235.db2.gz BXZVWSXEUXRSHS-XUVXKRRUSA-N 2 2 364.493 2.643 20 30 FFEDLP N#Cc1ccc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)nc1 ZINC001144163463 998060328 /nfs/dbraw/zinc/06/03/28/998060328.db2.gz HATSYFLBSCMTNI-UHFFFAOYSA-N 2 2 368.238 2.963 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091690991 1001087656 /nfs/dbraw/zinc/08/76/56/1001087656.db2.gz MMBIWWHEDBRJTJ-UTKZUKDTSA-N 2 2 356.514 2.508 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@]2(C)C1 ZINC001091690991 1001087665 /nfs/dbraw/zinc/08/76/65/1001087665.db2.gz MMBIWWHEDBRJTJ-UTKZUKDTSA-N 2 2 356.514 2.508 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092061433 1002347731 /nfs/dbraw/zinc/34/77/31/1002347731.db2.gz OIZOVVJDGSNPCJ-QAPCUYQASA-N 2 2 350.894 2.539 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092061433 1002347743 /nfs/dbraw/zinc/34/77/43/1002347743.db2.gz OIZOVVJDGSNPCJ-QAPCUYQASA-N 2 2 350.894 2.539 20 30 FFEDLP CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790372207 1002361832 /nfs/dbraw/zinc/36/18/32/1002361832.db2.gz ZAQFRMPIXIUXJD-NRFANRHFSA-N 2 2 368.481 2.644 20 30 FFEDLP CCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790372207 1002361844 /nfs/dbraw/zinc/36/18/44/1002361844.db2.gz ZAQFRMPIXIUXJD-NRFANRHFSA-N 2 2 368.481 2.644 20 30 FFEDLP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001183839239 1002406404 /nfs/dbraw/zinc/40/64/04/1002406404.db2.gz UDWGGGRYTBBMBH-UXHICEINSA-N 2 2 354.498 2.513 20 30 FFEDLP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001183839239 1002406409 /nfs/dbraw/zinc/40/64/09/1002406409.db2.gz UDWGGGRYTBBMBH-UXHICEINSA-N 2 2 354.498 2.513 20 30 FFEDLP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183839239 1002406422 /nfs/dbraw/zinc/40/64/22/1002406422.db2.gz UDWGGGRYTBBMBH-UXHICEINSA-N 2 2 354.498 2.513 20 30 FFEDLP C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183839239 1002406430 /nfs/dbraw/zinc/40/64/30/1002406430.db2.gz UDWGGGRYTBBMBH-UXHICEINSA-N 2 2 354.498 2.513 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1CC ZINC001095556391 1016752214 /nfs/dbraw/zinc/75/22/14/1016752214.db2.gz PCYXCQIKVFAWFY-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1CC ZINC001095556391 1016752226 /nfs/dbraw/zinc/75/22/26/1016752226.db2.gz PCYXCQIKVFAWFY-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1CC ZINC001095556391 1016752235 /nfs/dbraw/zinc/75/22/35/1016752235.db2.gz PCYXCQIKVFAWFY-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1CC ZINC001095556391 1016752244 /nfs/dbraw/zinc/75/22/44/1016752244.db2.gz PCYXCQIKVFAWFY-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP C[NH+](C)CCCC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793511370 1003392190 /nfs/dbraw/zinc/39/21/90/1003392190.db2.gz JACVSWQOVKPYSM-UHFFFAOYSA-N 2 2 356.514 2.610 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000817659650 1007690231 /nfs/dbraw/zinc/69/02/31/1007690231.db2.gz WWMRWKAMEPIRQY-CMDGGOBGSA-N 2 2 366.509 2.590 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000817659650 1007690235 /nfs/dbraw/zinc/69/02/35/1007690235.db2.gz WWMRWKAMEPIRQY-CMDGGOBGSA-N 2 2 366.509 2.590 20 30 FFEDLP C#C[C@H](CCC)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000820647142 1008361934 /nfs/dbraw/zinc/36/19/34/1008361934.db2.gz OCZQJYSZJPDVRW-RLLQIKCJSA-N 2 2 362.562 2.767 20 30 FFEDLP C#C[C@H](CCC)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000820647142 1008361936 /nfs/dbraw/zinc/36/19/36/1008361936.db2.gz OCZQJYSZJPDVRW-RLLQIKCJSA-N 2 2 362.562 2.767 20 30 FFEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc2c(c1)CCC2 ZINC000303771933 1012424931 /nfs/dbraw/zinc/42/49/31/1012424931.db2.gz DAXBMFVGWYFHMT-UHFFFAOYSA-N 2 2 356.514 2.937 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]3(C(F)(F)F)CCCN3)CC2)cc1 ZINC000925851671 1017874753 /nfs/dbraw/zinc/87/47/53/1017874753.db2.gz CCAZMXJFUIUTOI-SFHVURJKSA-N 2 2 366.431 2.797 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cccc(C#N)c2)CC1 ZINC001098097149 1019514245 /nfs/dbraw/zinc/51/42/45/1019514245.db2.gz XMXUQZJOEZATJG-NJYVYQBISA-N 2 2 366.509 2.512 20 30 FFEDLP CC1CC[NH+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cccc(C#N)c2)CC1 ZINC001098097149 1019514258 /nfs/dbraw/zinc/51/42/58/1019514258.db2.gz XMXUQZJOEZATJG-NJYVYQBISA-N 2 2 366.509 2.512 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365625764 1019936612 /nfs/dbraw/zinc/93/66/12/1019936612.db2.gz HZMODQFBOXTXSP-BKVYSMKUSA-N 2 2 371.529 2.919 20 30 FFEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365625764 1019936618 /nfs/dbraw/zinc/93/66/18/1019936618.db2.gz HZMODQFBOXTXSP-BKVYSMKUSA-N 2 2 371.529 2.919 20 30 FFEDLP N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC001120591518 1023375278 /nfs/dbraw/zinc/37/52/78/1023375278.db2.gz ZNBKBJBNSGFFBU-QFIPXVFZSA-N 2 2 360.461 2.718 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101283017 1024320967 /nfs/dbraw/zinc/32/09/67/1024320967.db2.gz OSFYGEULRJZPHW-KNKQGSTJSA-N 2 2 370.541 2.972 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC001101283017 1024320983 /nfs/dbraw/zinc/32/09/83/1024320983.db2.gz OSFYGEULRJZPHW-KNKQGSTJSA-N 2 2 370.541 2.972 20 30 FFEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001103282144 1027154739 /nfs/dbraw/zinc/15/47/39/1027154739.db2.gz GGAFGHLJCVQKJI-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001103282144 1027154741 /nfs/dbraw/zinc/15/47/41/1027154741.db2.gz GGAFGHLJCVQKJI-IEBWSBKVSA-N 2 2 350.466 2.583 20 30 FFEDLP C=CCc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1O ZINC000841043572 1029997425 /nfs/dbraw/zinc/99/74/25/1029997425.db2.gz PKDGNGVPCWCDPR-LJQANCHMSA-N 2 2 355.482 2.985 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C(F)(F)F ZINC001112164562 1030130204 /nfs/dbraw/zinc/13/02/04/1030130204.db2.gz MVWCIXODRVZJMH-UMVBOHGHSA-N 2 2 370.419 2.775 20 30 FFEDLP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]ccc1OC)C2 ZINC001112423714 1030785740 /nfs/dbraw/zinc/78/57/40/1030785740.db2.gz GPDDRMOMQVFAST-RXVVDRJESA-N 2 2 357.498 2.817 20 30 FFEDLP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3c[nH+]ccc3[nH]1)C2 ZINC001112427723 1030794666 /nfs/dbraw/zinc/79/46/66/1030794666.db2.gz PJASGPHBIVSKTC-UWJYYQICSA-N 2 2 368.481 2.597 20 30 FFEDLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001203761902 1030870803 /nfs/dbraw/zinc/87/08/03/1030870803.db2.gz HDCZCKONNFHQIK-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001203761902 1030870820 /nfs/dbraw/zinc/87/08/20/1030870820.db2.gz HDCZCKONNFHQIK-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001203761902 1030870841 /nfs/dbraw/zinc/87/08/41/1030870841.db2.gz HDCZCKONNFHQIK-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001203761902 1030870863 /nfs/dbraw/zinc/87/08/63/1030870863.db2.gz HDCZCKONNFHQIK-HKBOAZHASA-N 2 2 364.497 2.523 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001204371204 1031258093 /nfs/dbraw/zinc/25/80/93/1031258093.db2.gz TUQZKKMRMJMKCH-FGZHOGPDSA-N 2 2 362.477 2.676 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001204371204 1031258104 /nfs/dbraw/zinc/25/81/04/1031258104.db2.gz TUQZKKMRMJMKCH-FGZHOGPDSA-N 2 2 362.477 2.676 20 30 FFEDLP N#Cc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001204371204 1031258115 /nfs/dbraw/zinc/25/81/15/1031258115.db2.gz TUQZKKMRMJMKCH-FGZHOGPDSA-N 2 2 362.477 2.676 20 30 FFEDLP N#Cc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001204371204 1031258126 /nfs/dbraw/zinc/25/81/26/1031258126.db2.gz TUQZKKMRMJMKCH-FGZHOGPDSA-N 2 2 362.477 2.676 20 30 FFEDLP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001149861693 1031609797 /nfs/dbraw/zinc/60/97/97/1031609797.db2.gz PCFZLLWTUTVDCR-KZNAEPCWSA-N 2 2 362.518 2.691 20 30 FFEDLP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001149861693 1031609806 /nfs/dbraw/zinc/60/98/06/1031609806.db2.gz PCFZLLWTUTVDCR-KZNAEPCWSA-N 2 2 362.518 2.691 20 30 FFEDLP CCCCCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001149861693 1031609814 /nfs/dbraw/zinc/60/98/14/1031609814.db2.gz PCFZLLWTUTVDCR-KZNAEPCWSA-N 2 2 362.518 2.691 20 30 FFEDLP CCCCCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001149861693 1031609822 /nfs/dbraw/zinc/60/98/22/1031609822.db2.gz PCFZLLWTUTVDCR-KZNAEPCWSA-N 2 2 362.518 2.691 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205467802 1031769986 /nfs/dbraw/zinc/76/99/86/1031769986.db2.gz XAXVFXRMHYYLGX-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205467802 1031769997 /nfs/dbraw/zinc/76/99/97/1031769997.db2.gz XAXVFXRMHYYLGX-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205467802 1031770010 /nfs/dbraw/zinc/77/00/10/1031770010.db2.gz XAXVFXRMHYYLGX-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205467802 1031770022 /nfs/dbraw/zinc/77/00/22/1031770022.db2.gz XAXVFXRMHYYLGX-FPOVZHCZSA-N 2 2 357.473 2.878 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1ccccc1F ZINC001205678355 1031928950 /nfs/dbraw/zinc/92/89/50/1031928950.db2.gz FQLHIMJRDHRHFO-FXAWDEMLSA-N 2 2 370.472 2.950 20 30 FFEDLP CCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001221656578 1034956169 /nfs/dbraw/zinc/95/61/69/1034956169.db2.gz PBOVWXFZMLKDES-GUDVDZBRSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001221656578 1034956175 /nfs/dbraw/zinc/95/61/75/1034956175.db2.gz PBOVWXFZMLKDES-GUDVDZBRSA-N 2 2 358.530 2.949 20 30 FFEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001233043185 1036285144 /nfs/dbraw/zinc/28/51/44/1036285144.db2.gz GGEDYMSRGBNKLE-UHFFFAOYSA-N 2 2 356.495 2.815 20 30 FFEDLP N#Cc1cc[nH]c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001233043185 1036285162 /nfs/dbraw/zinc/28/51/62/1036285162.db2.gz GGEDYMSRGBNKLE-UHFFFAOYSA-N 2 2 356.495 2.815 20 30 FFEDLP C=CCCC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1cccnc1 ZINC001230781335 1037354342 /nfs/dbraw/zinc/35/43/42/1037354342.db2.gz KIARUMYAUYRUDW-RTBURBONSA-N 2 2 367.497 2.883 20 30 FFEDLP C=CCCC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1cccnc1 ZINC001230781335 1037354360 /nfs/dbraw/zinc/35/43/60/1037354360.db2.gz KIARUMYAUYRUDW-RTBURBONSA-N 2 2 367.497 2.883 20 30 FFEDLP C=CCCC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1cccnc1 ZINC001230781335 1037354376 /nfs/dbraw/zinc/35/43/76/1037354376.db2.gz KIARUMYAUYRUDW-RTBURBONSA-N 2 2 367.497 2.883 20 30 FFEDLP C=CCCC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1cccnc1 ZINC001230781335 1037354393 /nfs/dbraw/zinc/35/43/93/1037354393.db2.gz KIARUMYAUYRUDW-RTBURBONSA-N 2 2 367.497 2.883 20 30 FFEDLP C#CCCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528681 1038547031 /nfs/dbraw/zinc/54/70/31/1038547031.db2.gz JMONPJFOWWGIMI-NRSPTQNISA-N 2 2 353.510 2.643 20 30 FFEDLP C#CCCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC001256528681 1038547039 /nfs/dbraw/zinc/54/70/39/1038547039.db2.gz JMONPJFOWWGIMI-NRSPTQNISA-N 2 2 353.510 2.643 20 30 FFEDLP CC[C@H](CC#N)[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255172542 1041180412 /nfs/dbraw/zinc/18/04/12/1041180412.db2.gz POONEMNGTZRRJP-OAQYLSRUSA-N 2 2 368.525 2.735 20 30 FFEDLP COc1cc(C[NH+]2CCOCC2)ccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240360420 1044321712 /nfs/dbraw/zinc/32/17/12/1044321712.db2.gz BPTIVVYXFMWCKA-UHFFFAOYSA-N 2 2 363.461 2.753 20 30 FFEDLP CCCCCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001340060564 1050468794 /nfs/dbraw/zinc/46/87/94/1050468794.db2.gz CUNWASRNTICOIW-FQEVSTJZSA-N 3 2 366.594 2.739 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001342300039 1050895583 /nfs/dbraw/zinc/89/55/83/1050895583.db2.gz STZLRCYQSNRFAA-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[NH+](C2CCCC2)CC1 ZINC001342300039 1050895604 /nfs/dbraw/zinc/89/56/04/1050895604.db2.gz STZLRCYQSNRFAA-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001342300039 1050895618 /nfs/dbraw/zinc/89/56/18/1050895618.db2.gz STZLRCYQSNRFAA-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001342300039 1050895625 /nfs/dbraw/zinc/89/56/25/1050895625.db2.gz STZLRCYQSNRFAA-GOSISDBHSA-N 2 2 358.534 2.686 20 30 FFEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001303557389 1051387483 /nfs/dbraw/zinc/38/74/83/1051387483.db2.gz CZNAWXNCVMMWSZ-KNQAVFIVSA-N 2 2 367.537 2.543 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001303557389 1051387489 /nfs/dbraw/zinc/38/74/89/1051387489.db2.gz CZNAWXNCVMMWSZ-KNQAVFIVSA-N 2 2 367.537 2.543 20 30 FFEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001338994555 1055998198 /nfs/dbraw/zinc/99/81/98/1055998198.db2.gz FUIIFPIQELOZLG-FUHWJXTLSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001338994555 1055998209 /nfs/dbraw/zinc/99/82/09/1055998209.db2.gz FUIIFPIQELOZLG-FUHWJXTLSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001338994555 1055998220 /nfs/dbraw/zinc/99/82/20/1055998220.db2.gz FUIIFPIQELOZLG-FUHWJXTLSA-N 2 2 358.534 2.541 20 30 FFEDLP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001338994555 1055998230 /nfs/dbraw/zinc/99/82/30/1055998230.db2.gz FUIIFPIQELOZLG-FUHWJXTLSA-N 2 2 358.534 2.541 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001515032649 1059241456 /nfs/dbraw/zinc/24/14/56/1059241456.db2.gz XFQBJBDODQRVSS-OTWHNJEPSA-N 2 2 372.561 2.617 20 30 FFEDLP C[N@H+](C[C@H](O)c1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001459622579 1060782191 /nfs/dbraw/zinc/78/21/91/1060782191.db2.gz AZAIESISWKDJJA-QFIPXVFZSA-N 2 2 364.493 2.626 20 30 FFEDLP C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001459622579 1060782208 /nfs/dbraw/zinc/78/22/08/1060782208.db2.gz AZAIESISWKDJJA-QFIPXVFZSA-N 2 2 364.493 2.626 20 30 FFEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]([NH3+])CCCCC#N)c(C)c1 ZINC001579667060 1078659706 /nfs/dbraw/zinc/65/97/06/1078659706.db2.gz GOGNKSIDBKJHBS-MOPGFXCFSA-N 2 2 353.470 2.769 20 30 FFEDLP N#Cc1cc(Br)ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001580062395 1078742455 /nfs/dbraw/zinc/74/24/55/1078742455.db2.gz YANPCXIQARUZRT-SJORKVTESA-N 2 2 364.287 2.649 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000289199517 257265471 /nfs/dbraw/zinc/26/54/71/257265471.db2.gz BHMDFCWFRUYYCX-LJQANCHMSA-N 2 2 350.466 2.543 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000289199517 257265472 /nfs/dbraw/zinc/26/54/72/257265472.db2.gz BHMDFCWFRUYYCX-LJQANCHMSA-N 2 2 350.466 2.543 20 30 FFEDLP CCc1nnc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C#N)c1CC ZINC000301618167 258059126 /nfs/dbraw/zinc/05/91/26/258059126.db2.gz BGXLOPBITOBXPI-UHFFFAOYSA-N 2 2 370.545 2.835 20 30 FFEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430621 258138373 /nfs/dbraw/zinc/13/83/73/258138373.db2.gz KCPDTBOHHQWJGI-FPOVZHCZSA-N 2 2 366.509 2.717 20 30 FFEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430621 258138374 /nfs/dbraw/zinc/13/83/74/258138374.db2.gz KCPDTBOHHQWJGI-FPOVZHCZSA-N 2 2 366.509 2.717 20 30 FFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430621 258138375 /nfs/dbraw/zinc/13/83/75/258138375.db2.gz KCPDTBOHHQWJGI-FPOVZHCZSA-N 2 2 366.509 2.717 20 30 FFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329430621 258138376 /nfs/dbraw/zinc/13/83/76/258138376.db2.gz KCPDTBOHHQWJGI-FPOVZHCZSA-N 2 2 366.509 2.717 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)Cc3ccc(F)cc3)CC2)cc1 ZINC000375034591 512131805 /nfs/dbraw/zinc/13/18/05/512131805.db2.gz YROJBLVSKAGUJU-JOCHJYFZSA-N 2 2 367.468 2.855 20 30 FFEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1C#N ZINC000366899897 512239838 /nfs/dbraw/zinc/23/98/38/512239838.db2.gz IWAZMOSMSUCPCI-OXJNMPFZSA-N 2 2 350.466 2.962 20 30 FFEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1C#N ZINC000366899897 512239842 /nfs/dbraw/zinc/23/98/42/512239842.db2.gz IWAZMOSMSUCPCI-OXJNMPFZSA-N 2 2 350.466 2.962 20 30 FFEDLP Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000090003784 507900250 /nfs/dbraw/zinc/90/02/50/507900250.db2.gz NBJHPORVXLUMHL-GDBMZVCRSA-N 2 2 369.469 2.783 20 30 FFEDLP Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000090003784 507900253 /nfs/dbraw/zinc/90/02/53/507900253.db2.gz NBJHPORVXLUMHL-GDBMZVCRSA-N 2 2 369.469 2.783 20 30 FFEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003996 507900730 /nfs/dbraw/zinc/90/07/30/507900730.db2.gz OVECTJHNWQQHSK-KRWDZBQOSA-N 2 2 354.454 2.634 20 30 FFEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003996 507900733 /nfs/dbraw/zinc/90/07/33/507900733.db2.gz OVECTJHNWQQHSK-KRWDZBQOSA-N 2 2 354.454 2.634 20 30 FFEDLP N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017388 508114919 /nfs/dbraw/zinc/11/49/19/508114919.db2.gz HUZHWIUSAOJARN-FQEVSTJZSA-N 2 2 357.498 2.913 20 30 FFEDLP N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017388 508114921 /nfs/dbraw/zinc/11/49/21/508114921.db2.gz HUZHWIUSAOJARN-FQEVSTJZSA-N 2 2 357.498 2.913 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157072081 508519185 /nfs/dbraw/zinc/51/91/85/508519185.db2.gz WOQMZOGKHKHICP-SFHLNBCPSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157072081 508519188 /nfs/dbraw/zinc/51/91/88/508519188.db2.gz WOQMZOGKHKHICP-SFHLNBCPSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157072081 508519190 /nfs/dbraw/zinc/51/91/90/508519190.db2.gz WOQMZOGKHKHICP-SFHLNBCPSA-N 2 2 370.541 2.979 20 30 FFEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157072081 508519192 /nfs/dbraw/zinc/51/91/92/508519192.db2.gz WOQMZOGKHKHICP-SFHLNBCPSA-N 2 2 370.541 2.979 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000152991379 508537933 /nfs/dbraw/zinc/53/79/33/508537933.db2.gz MTZGFSYDZOPZEA-HNNXBMFYSA-N 2 2 366.527 2.790 20 30 FFEDLP C[NH+]1CCC(CNC(=O)c2ccc(C#N)c(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000157640360 508590901 /nfs/dbraw/zinc/59/09/01/508590901.db2.gz AWBYCWOMTGPKHN-UHFFFAOYSA-N 2 2 374.916 2.892 20 30 FFEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000131143122 508892028 /nfs/dbraw/zinc/89/20/28/508892028.db2.gz XSZUJFQLVHCISC-INIZCTEOSA-N 2 2 360.465 2.916 20 30 FFEDLP CC[NH+]=C(NCCc1ccncc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160018799 508926912 /nfs/dbraw/zinc/92/69/12/508926912.db2.gz VMZMUVYEFAJYAX-LPHOPBHVSA-N 2 2 354.502 2.678 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192207478 509402691 /nfs/dbraw/zinc/40/26/91/509402691.db2.gz YZOLEHDTECMXIP-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000192207478 509402697 /nfs/dbraw/zinc/40/26/97/509402697.db2.gz YZOLEHDTECMXIP-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000192207478 509402704 /nfs/dbraw/zinc/40/27/04/509402704.db2.gz YZOLEHDTECMXIP-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP C[NH+](Cc1ccc(C#N)c(F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000192207478 509402710 /nfs/dbraw/zinc/40/27/10/509402710.db2.gz YZOLEHDTECMXIP-OAQYLSRUSA-N 2 2 353.441 2.766 20 30 FFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248824235 509498574 /nfs/dbraw/zinc/49/85/74/509498574.db2.gz GKWDBVXGDFNDHV-QGZVFWFLSA-N 2 2 373.464 2.553 20 30 FFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248824235 509498578 /nfs/dbraw/zinc/49/85/78/509498578.db2.gz GKWDBVXGDFNDHV-QGZVFWFLSA-N 2 2 373.464 2.553 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000264410414 509510367 /nfs/dbraw/zinc/51/03/67/509510367.db2.gz OHTVEPRQMGABJN-UHFFFAOYSA-N 2 2 357.502 2.522 20 30 FFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)[C@@H](C)C1 ZINC000245444230 509937388 /nfs/dbraw/zinc/93/73/88/509937388.db2.gz XWKLCHSPHLNEGM-RDJZCZTQSA-N 2 2 360.527 2.903 20 30 FFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)[C@@H](C)C1 ZINC000245444230 509937393 /nfs/dbraw/zinc/93/73/93/509937393.db2.gz XWKLCHSPHLNEGM-RDJZCZTQSA-N 2 2 360.527 2.903 20 30 FFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)[C@@H](C)C1 ZINC000245444230 509937399 /nfs/dbraw/zinc/93/73/99/509937399.db2.gz XWKLCHSPHLNEGM-RDJZCZTQSA-N 2 2 360.527 2.903 20 30 FFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)[C@@H](C)C1 ZINC000245444230 509937404 /nfs/dbraw/zinc/93/74/04/509937404.db2.gz XWKLCHSPHLNEGM-RDJZCZTQSA-N 2 2 360.527 2.903 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245562795 510007933 /nfs/dbraw/zinc/00/79/33/510007933.db2.gz CRXNDHHVYAREFS-DFQSSKMNSA-N 2 2 355.482 2.934 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245562795 510007936 /nfs/dbraw/zinc/00/79/36/510007936.db2.gz CRXNDHHVYAREFS-DFQSSKMNSA-N 2 2 355.482 2.934 20 30 FFEDLP CCS[C@H](C)c1noc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000268702105 510078267 /nfs/dbraw/zinc/07/82/67/510078267.db2.gz FZFOVGJWHBTYHO-GFCCVEGCSA-N 2 2 363.487 2.782 20 30 FFEDLP N#CC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000171344075 510094086 /nfs/dbraw/zinc/09/40/86/510094086.db2.gz YIUOBHAUKVLSOR-IBGZPJMESA-N 2 2 374.916 2.829 20 30 FFEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245763931 510135072 /nfs/dbraw/zinc/13/50/72/510135072.db2.gz QGIKFPOFUXWEGV-FQEVSTJZSA-N 2 2 356.514 2.581 20 30 FFEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000245763931 510135079 /nfs/dbraw/zinc/13/50/79/510135079.db2.gz QGIKFPOFUXWEGV-FQEVSTJZSA-N 2 2 356.514 2.581 20 30 FFEDLP C=CC[NH+]1CCC(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000171568209 510231210 /nfs/dbraw/zinc/23/12/10/510231210.db2.gz UPAUNWHLPKPLKY-UHFFFAOYSA-N 2 2 358.511 2.643 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181099515 510274831 /nfs/dbraw/zinc/27/48/31/510274831.db2.gz VZBSRBOYSYYSDU-SFHVURJKSA-N 2 2 353.470 2.849 20 30 FFEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181099515 510274837 /nfs/dbraw/zinc/27/48/37/510274837.db2.gz VZBSRBOYSYYSDU-SFHVURJKSA-N 2 2 353.470 2.849 20 30 FFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000181655856 510525088 /nfs/dbraw/zinc/52/50/88/510525088.db2.gz FBIQRMRLFKYZAP-ZWKOTPCHSA-N 2 2 368.525 2.902 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOC[C@H]3CCOC3)CC2)cc1 ZINC000181793117 510594594 /nfs/dbraw/zinc/59/45/94/510594594.db2.gz KYKIROLQRXXXAJ-HXUWFJFHSA-N 2 2 357.498 2.555 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000247737388 510869316 /nfs/dbraw/zinc/86/93/16/510869316.db2.gz NBLRMHVKYXIKQY-MOPGFXCFSA-N 2 2 363.465 2.760 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000247737388 510869317 /nfs/dbraw/zinc/86/93/17/510869317.db2.gz NBLRMHVKYXIKQY-MOPGFXCFSA-N 2 2 363.465 2.760 20 30 FFEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c[nH+]2)C[C@H](C)O1 ZINC000330268572 510952161 /nfs/dbraw/zinc/95/21/61/510952161.db2.gz RGVRYXSBJKHMLW-DAYGRLMNSA-N 2 2 358.486 2.779 20 30 FFEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)c[nH+]2)C[C@H](C)O1 ZINC000330268572 510952166 /nfs/dbraw/zinc/95/21/66/510952166.db2.gz RGVRYXSBJKHMLW-DAYGRLMNSA-N 2 2 358.486 2.779 20 30 FFEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575607 510999313 /nfs/dbraw/zinc/99/93/13/510999313.db2.gz JREIKDUNZFWRKW-AQNXPRMDSA-N 2 2 353.514 2.608 20 30 FFEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575607 510999316 /nfs/dbraw/zinc/99/93/16/510999316.db2.gz JREIKDUNZFWRKW-AQNXPRMDSA-N 2 2 353.514 2.608 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1C ZINC000278837573 511009542 /nfs/dbraw/zinc/00/95/42/511009542.db2.gz APOGKRAXAGBPDM-APWZRJJASA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1C ZINC000278837573 511009548 /nfs/dbraw/zinc/00/95/48/511009548.db2.gz APOGKRAXAGBPDM-APWZRJJASA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[NH+]1C ZINC000278837573 511009554 /nfs/dbraw/zinc/00/95/54/511009554.db2.gz APOGKRAXAGBPDM-APWZRJJASA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[NH+]1C ZINC000278837573 511009557 /nfs/dbraw/zinc/00/95/57/511009557.db2.gz APOGKRAXAGBPDM-APWZRJJASA-N 2 2 352.486 2.773 20 30 FFEDLP N#CCCn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2ccncc2)n1 ZINC000279402865 511070899 /nfs/dbraw/zinc/07/08/99/511070899.db2.gz MRIKWPONZXSOSF-UHFFFAOYSA-N 2 2 361.453 2.892 20 30 FFEDLP Cc1nc(CC(N)=[NH+]OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000283452447 511372454 /nfs/dbraw/zinc/37/24/54/511372454.db2.gz FDEDNXUCQXRBFE-SFHVURJKSA-N 2 2 374.510 2.574 20 30 FFEDLP Cc1nc(CC(N)=[NH+]OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000283452447 511372461 /nfs/dbraw/zinc/37/24/61/511372461.db2.gz FDEDNXUCQXRBFE-SFHVURJKSA-N 2 2 374.510 2.574 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000312139561 511781978 /nfs/dbraw/zinc/78/19/78/511781978.db2.gz YOGAIIGDGUNMFU-SFTDATJTSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312139561 511781981 /nfs/dbraw/zinc/78/19/81/511781981.db2.gz YOGAIIGDGUNMFU-SFTDATJTSA-N 2 2 365.477 2.552 20 30 FFEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[NH+](C)CC3)n2)C1 ZINC000328828610 511937191 /nfs/dbraw/zinc/93/71/91/511937191.db2.gz JXUVYNFZRRTZCQ-CQSZACIVSA-N 2 2 351.520 2.558 20 30 FFEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[NH+](C)CC3)n2)C1 ZINC000328828610 511937199 /nfs/dbraw/zinc/93/71/99/511937199.db2.gz JXUVYNFZRRTZCQ-CQSZACIVSA-N 2 2 351.520 2.558 20 30 FFEDLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@H+](C)CC3)n2)C1 ZINC000328828610 511937203 /nfs/dbraw/zinc/93/72/03/511937203.db2.gz JXUVYNFZRRTZCQ-CQSZACIVSA-N 2 2 351.520 2.558 20 30 FFEDLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)N3CCC[N@@H+](C)CC3)n2)C1 ZINC000328828610 511937211 /nfs/dbraw/zinc/93/72/11/511937211.db2.gz JXUVYNFZRRTZCQ-CQSZACIVSA-N 2 2 351.520 2.558 20 30 FFEDLP CC[N@@H+]1CCCN(C(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)CC1 ZINC000328847169 511940465 /nfs/dbraw/zinc/94/04/65/511940465.db2.gz QTOBNCHKPLXDLH-HNNXBMFYSA-N 2 2 365.547 2.948 20 30 FFEDLP CC[NH+]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000328847169 511940471 /nfs/dbraw/zinc/94/04/71/511940471.db2.gz QTOBNCHKPLXDLH-HNNXBMFYSA-N 2 2 365.547 2.948 20 30 FFEDLP CC[NH+]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000328847169 511940474 /nfs/dbraw/zinc/94/04/74/511940474.db2.gz QTOBNCHKPLXDLH-HNNXBMFYSA-N 2 2 365.547 2.948 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328884314 511945452 /nfs/dbraw/zinc/94/54/52/511945452.db2.gz YLVFYSNEJCVSHD-DNVCBOLYSA-N 2 2 350.507 2.996 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328884314 511945456 /nfs/dbraw/zinc/94/54/56/511945456.db2.gz YLVFYSNEJCVSHD-DNVCBOLYSA-N 2 2 350.507 2.996 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328884314 511945462 /nfs/dbraw/zinc/94/54/62/511945462.db2.gz YLVFYSNEJCVSHD-DNVCBOLYSA-N 2 2 350.507 2.996 20 30 FFEDLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328884314 511945469 /nfs/dbraw/zinc/94/54/69/511945469.db2.gz YLVFYSNEJCVSHD-DNVCBOLYSA-N 2 2 350.507 2.996 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)CCO1 ZINC000329006368 511965626 /nfs/dbraw/zinc/96/56/26/511965626.db2.gz XSQJGUTWKLDMMC-APWZRJJASA-N 2 2 368.481 2.823 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)CCO1 ZINC000329006368 511965631 /nfs/dbraw/zinc/96/56/31/511965631.db2.gz XSQJGUTWKLDMMC-APWZRJJASA-N 2 2 368.481 2.823 20 30 FFEDLP N#CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000329251045 512014224 /nfs/dbraw/zinc/01/42/24/512014224.db2.gz URWIRXOILXYPQX-GOSISDBHSA-N 2 2 363.465 2.960 20 30 FFEDLP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329423406 512043787 /nfs/dbraw/zinc/04/37/87/512043787.db2.gz GCGVTHCXPKIIEO-INIZCTEOSA-N 2 2 368.481 2.559 20 30 FFEDLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329484514 512055321 /nfs/dbraw/zinc/05/53/21/512055321.db2.gz SICJDVCTWVHPFM-SJLPKXTDSA-N 2 2 360.502 2.780 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000329726467 512091215 /nfs/dbraw/zinc/09/12/15/512091215.db2.gz OLYVBBAMRFAPRQ-SJLPKXTDSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000329726467 512091217 /nfs/dbraw/zinc/09/12/17/512091217.db2.gz OLYVBBAMRFAPRQ-SJLPKXTDSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000329726467 512091220 /nfs/dbraw/zinc/09/12/20/512091220.db2.gz OLYVBBAMRFAPRQ-SJLPKXTDSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000329726467 512091222 /nfs/dbraw/zinc/09/12/22/512091222.db2.gz OLYVBBAMRFAPRQ-SJLPKXTDSA-N 2 2 367.497 2.777 20 30 FFEDLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC[N@@H+]1C ZINC000329820852 512101163 /nfs/dbraw/zinc/10/11/63/512101163.db2.gz POYCPDRJORVQOE-AEFFLSMTSA-N 2 2 359.518 2.948 20 30 FFEDLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC[N@H+]1C ZINC000329820852 512101166 /nfs/dbraw/zinc/10/11/66/512101166.db2.gz POYCPDRJORVQOE-AEFFLSMTSA-N 2 2 359.518 2.948 20 30 FFEDLP C[NH+]1CCC(CNC(=O)c2cc(C#N)ccc2Cl)([NH+]2CCCCC2)CC1 ZINC000375844004 512534302 /nfs/dbraw/zinc/53/43/02/512534302.db2.gz ZFFSJLADTYAVDE-UHFFFAOYSA-N 2 2 374.916 2.892 20 30 FFEDLP Cc1ccc(C2CC[NH+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c[nH+]1 ZINC000374680575 512951399 /nfs/dbraw/zinc/95/13/99/512951399.db2.gz QUBHLKRUYMHXFA-HXUWFJFHSA-N 2 2 374.444 2.773 20 30 FFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000441254660 513521841 /nfs/dbraw/zinc/52/18/41/513521841.db2.gz FUZJADWZAMXFCT-RYRKJORJSA-N 2 2 365.424 2.843 20 30 FFEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000441254660 513521847 /nfs/dbraw/zinc/52/18/47/513521847.db2.gz FUZJADWZAMXFCT-RYRKJORJSA-N 2 2 365.424 2.843 20 30 FFEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)c1 ZINC000437143823 514099499 /nfs/dbraw/zinc/09/94/99/514099499.db2.gz GIILSMGAHWANEL-UHFFFAOYSA-N 2 2 374.391 2.885 20 30 FFEDLP C=CCOc1c(Br)cc(C[NH2+][C@H](C[NH3+])C2CC2)cc1OC ZINC000414798531 514299452 /nfs/dbraw/zinc/29/94/52/514299452.db2.gz JKUNXCWPYKYNJL-CQSZACIVSA-N 2 2 355.276 2.849 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471005113 514713715 /nfs/dbraw/zinc/71/37/15/514713715.db2.gz JVDFTFWORDUOMN-NRSPTQNISA-N 2 2 353.510 2.639 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471005113 514713721 /nfs/dbraw/zinc/71/37/21/514713721.db2.gz JVDFTFWORDUOMN-NRSPTQNISA-N 2 2 353.510 2.639 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471005113 514713725 /nfs/dbraw/zinc/71/37/25/514713725.db2.gz JVDFTFWORDUOMN-NRSPTQNISA-N 2 2 353.510 2.639 20 30 FFEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471005113 514713731 /nfs/dbraw/zinc/71/37/31/514713731.db2.gz JVDFTFWORDUOMN-NRSPTQNISA-N 2 2 353.510 2.639 20 30 FFEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475742421 514788613 /nfs/dbraw/zinc/78/86/13/514788613.db2.gz PTVAZKVZSSSLQZ-UGKGYDQZSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475742421 514788621 /nfs/dbraw/zinc/78/86/21/514788621.db2.gz PTVAZKVZSSSLQZ-UGKGYDQZSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475742421 514788629 /nfs/dbraw/zinc/78/86/29/514788629.db2.gz PTVAZKVZSSSLQZ-UGKGYDQZSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475742421 514788637 /nfs/dbraw/zinc/78/86/37/514788637.db2.gz PTVAZKVZSSSLQZ-UGKGYDQZSA-N 2 2 368.525 2.735 20 30 FFEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000506042063 515759122 /nfs/dbraw/zinc/75/91/22/515759122.db2.gz NYVKSNGFTUBJSP-GOSISDBHSA-N 2 2 354.498 2.517 20 30 FFEDLP N#Cc1ccccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512469898 516289112 /nfs/dbraw/zinc/28/91/12/516289112.db2.gz UNABGSQSYIISOB-HSZRJFAPSA-N 2 2 360.505 2.950 20 30 FFEDLP N#Cc1ccccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512469898 516289116 /nfs/dbraw/zinc/28/91/16/516289116.db2.gz UNABGSQSYIISOB-HSZRJFAPSA-N 2 2 360.505 2.950 20 30 FFEDLP C[NH+]1CCC(CNC(=O)[C@]2(C#N)CC23CCCC3)([NH+]2CCCCC2)CC1 ZINC000517502691 516344470 /nfs/dbraw/zinc/34/44/70/516344470.db2.gz KIMYMYZPWFLGIH-OAQYLSRUSA-N 2 2 358.530 2.527 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)c3cccc(F)c3)CC2)cc1 ZINC000540609443 516640481 /nfs/dbraw/zinc/64/04/81/516640481.db2.gz YOLRQURDPJCIBT-NRFANRHFSA-N 2 2 353.441 2.985 20 30 FFEDLP Cc1ccc([C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)[NH+](C)C)cc1 ZINC000582355337 518713088 /nfs/dbraw/zinc/71/30/88/518713088.db2.gz HFZXLVZXYBOQRZ-RBBKRZOGSA-N 2 2 367.493 2.693 20 30 FFEDLP N#C[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)C1 ZINC000574998477 519444660 /nfs/dbraw/zinc/44/46/60/519444660.db2.gz PJVOKKDXXJQTSH-UXHICEINSA-N 2 2 368.525 2.640 20 30 FFEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)C1 ZINC000574998479 519444698 /nfs/dbraw/zinc/44/46/98/519444698.db2.gz PJVOKKDXXJQTSH-WOJBJXKFSA-N 2 2 368.525 2.640 20 30 FFEDLP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000566428335 519487629 /nfs/dbraw/zinc/48/76/29/519487629.db2.gz FMYMQKSMXMPCCW-FQEVSTJZSA-N 2 2 364.493 2.766 20 30 FFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848077 519923598 /nfs/dbraw/zinc/92/35/98/519923598.db2.gz ZTPPZAHJNLRDMO-UHFFFAOYSA-N 2 2 369.856 2.757 20 30 FFEDLP N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848077 519923605 /nfs/dbraw/zinc/92/36/05/519923605.db2.gz ZTPPZAHJNLRDMO-UHFFFAOYSA-N 2 2 369.856 2.757 20 30 FFEDLP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441406 519967845 /nfs/dbraw/zinc/96/78/45/519967845.db2.gz RNSHJVGYXMGWRQ-YJBOKZPZSA-N 2 2 362.905 2.956 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000609676629 520404264 /nfs/dbraw/zinc/40/42/64/520404264.db2.gz XKYUHNHLUVRWCJ-PZJWPPBQSA-N 2 2 362.477 2.586 20 30 FFEDLP N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000609676629 520404266 /nfs/dbraw/zinc/40/42/66/520404266.db2.gz XKYUHNHLUVRWCJ-PZJWPPBQSA-N 2 2 362.477 2.586 20 30 FFEDLP CCc1ccc([C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)[NH+](C)C)cc1 ZINC000600716508 520418729 /nfs/dbraw/zinc/41/87/29/520418729.db2.gz YFBMDYWSWDJKFX-NHCUHLMSSA-N 2 2 367.493 2.753 20 30 FFEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499914 520423178 /nfs/dbraw/zinc/42/31/78/520423178.db2.gz CYYGROQSMWOOKL-IAGOWNOFSA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499914 520423185 /nfs/dbraw/zinc/42/31/85/520423185.db2.gz CYYGROQSMWOOKL-IAGOWNOFSA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499914 520423189 /nfs/dbraw/zinc/42/31/89/520423189.db2.gz CYYGROQSMWOOKL-IAGOWNOFSA-N 2 2 352.486 2.687 20 30 FFEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592499914 520423197 /nfs/dbraw/zinc/42/31/97/520423197.db2.gz CYYGROQSMWOOKL-IAGOWNOFSA-N 2 2 352.486 2.687 20 30 FFEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCC1 ZINC000600737799 520437028 /nfs/dbraw/zinc/43/70/28/520437028.db2.gz FNSRQWKLQXWZCI-HXUWFJFHSA-N 2 2 371.525 2.702 20 30 FFEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCC1 ZINC000600737799 520437037 /nfs/dbraw/zinc/43/70/37/520437037.db2.gz FNSRQWKLQXWZCI-HXUWFJFHSA-N 2 2 371.525 2.702 20 30 FFEDLP N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000595551624 520547971 /nfs/dbraw/zinc/54/79/71/520547971.db2.gz JHUAWLDGIMQTFK-OAQYLSRUSA-N 2 2 373.460 2.916 20 30 FFEDLP Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)c(C#N)c(N[C@@H](C)Cn2cc[nH+]c2)[nH+]1 ZINC000596079322 520899156 /nfs/dbraw/zinc/89/91/56/520899156.db2.gz OGEMRWXWXYFBIH-HOTGVXAUSA-N 3 2 364.457 2.656 20 30 FFEDLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000596090396 520906493 /nfs/dbraw/zinc/90/64/93/520906493.db2.gz CYQURTMCEVBWQC-HZPDHXFCSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[NH+](C3CC3)C2)[nH+]1 ZINC000596090396 520906499 /nfs/dbraw/zinc/90/64/99/520906499.db2.gz CYQURTMCEVBWQC-HZPDHXFCSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000596090396 520906510 /nfs/dbraw/zinc/90/65/10/520906510.db2.gz CYQURTMCEVBWQC-HZPDHXFCSA-N 3 2 366.513 2.559 20 30 FFEDLP Cc1cc(N[C@@H]2CC[NH+](C3CC3)C2)c(C#N)c(N[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000596090396 520906521 /nfs/dbraw/zinc/90/65/21/520906521.db2.gz CYQURTMCEVBWQC-HZPDHXFCSA-N 3 2 366.513 2.559 20 30 FFEDLP C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000601809632 520963055 /nfs/dbraw/zinc/96/30/55/520963055.db2.gz ZMPBEADMQNSUDQ-INIZCTEOSA-N 2 2 363.465 2.522 20 30 FFEDLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612157900 521511239 /nfs/dbraw/zinc/51/12/39/521511239.db2.gz FYHPJFBFIVJWRC-PGRDOPGGSA-N 2 2 368.525 2.781 20 30 FFEDLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612157900 521511248 /nfs/dbraw/zinc/51/12/48/521511248.db2.gz FYHPJFBFIVJWRC-PGRDOPGGSA-N 2 2 368.525 2.781 20 30 FFEDLP C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000597209283 521577266 /nfs/dbraw/zinc/57/72/66/521577266.db2.gz QITMJNPZJHKKHH-HXUWFJFHSA-N 2 2 359.477 2.955 20 30 FFEDLP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c3ccc(C#N)cn23)C1 ZINC000597209283 521577274 /nfs/dbraw/zinc/57/72/74/521577274.db2.gz QITMJNPZJHKKHH-HXUWFJFHSA-N 2 2 359.477 2.955 20 30 FFEDLP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000665394908 732703098 /nfs/dbraw/zinc/70/30/98/732703098.db2.gz XGPDYPCAYOXTAC-MJGOQNOKSA-N 2 2 350.551 2.789 20 30 FFEDLP C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665394908 732703100 /nfs/dbraw/zinc/70/31/00/732703100.db2.gz XGPDYPCAYOXTAC-MJGOQNOKSA-N 2 2 350.551 2.789 20 30 FFEDLP C#Cc1cccc(NC(=S)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000726487537 734430346 /nfs/dbraw/zinc/43/03/46/734430346.db2.gz NFHKSWIPITXMNC-UHFFFAOYSA-N 2 2 356.539 2.513 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000730270871 734624339 /nfs/dbraw/zinc/62/43/39/734624339.db2.gz IGEOMKRUMSIDDB-RBUKOAKNSA-N 2 2 359.901 2.691 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000730270871 734624340 /nfs/dbraw/zinc/62/43/40/734624340.db2.gz IGEOMKRUMSIDDB-RBUKOAKNSA-N 2 2 359.901 2.691 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948781782 740353681 /nfs/dbraw/zinc/35/36/81/740353681.db2.gz AIFASVCNPQIWFX-BZUAXINKSA-N 2 2 350.894 2.589 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948781782 740353684 /nfs/dbraw/zinc/35/36/84/740353684.db2.gz AIFASVCNPQIWFX-BZUAXINKSA-N 2 2 350.894 2.589 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819022583 742326605 /nfs/dbraw/zinc/32/66/05/742326605.db2.gz RUVSSQJAHHYDLN-MRXNPFEDSA-N 2 2 357.267 2.862 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035228749 742946786 /nfs/dbraw/zinc/94/67/86/742946786.db2.gz DMJKWDSQBGEKMZ-HZPDHXFCSA-N 2 2 362.905 2.591 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC2 ZINC001035228749 742946788 /nfs/dbraw/zinc/94/67/88/742946788.db2.gz DMJKWDSQBGEKMZ-HZPDHXFCSA-N 2 2 362.905 2.591 20 30 FFEDLP C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000660573064 972257394 /nfs/dbraw/zinc/25/73/94/972257394.db2.gz GAQVMKGWSQRKHH-XLIONFOSSA-N 2 2 362.562 2.979 20 30 FFEDLP O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328659926 960425721 /nfs/dbraw/zinc/42/57/21/960425721.db2.gz ULFIKOQIGUYSBZ-SFHVURJKSA-N 2 2 357.502 2.525 20 30 FFEDLP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@]2(CCOC2)C1 ZINC000261946084 964841920 /nfs/dbraw/zinc/84/19/20/964841920.db2.gz FZGFUYPBSVZKCC-FQEVSTJZSA-N 2 2 371.460 2.589 20 30 FFEDLP C=CC[C@@]1(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CCC[NH2+]1 ZINC000662718145 973755645 /nfs/dbraw/zinc/75/56/45/973755645.db2.gz GVJKGFKAUYUPOF-UTKZUKDTSA-N 2 2 357.498 2.599 20 30 FFEDLP C=CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H](C)COC ZINC000661242990 973974916 /nfs/dbraw/zinc/97/49/16/973974916.db2.gz HXKIDZBROXHZCI-FQEVSTJZSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@@H](C)COC ZINC000661242990 973974936 /nfs/dbraw/zinc/97/49/36/973974936.db2.gz HXKIDZBROXHZCI-FQEVSTJZSA-N 2 2 373.541 2.552 20 30 FFEDLP C=CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H](C)COC ZINC000661242990 973974941 /nfs/dbraw/zinc/97/49/41/973974941.db2.gz HXKIDZBROXHZCI-FQEVSTJZSA-N 2 2 373.541 2.552 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027449361 974523105 /nfs/dbraw/zinc/52/31/05/974523105.db2.gz YXUFAVBYISPVRX-GUDVDZBRSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027449361 974523106 /nfs/dbraw/zinc/52/31/06/974523106.db2.gz YXUFAVBYISPVRX-GUDVDZBRSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027449361 974523111 /nfs/dbraw/zinc/52/31/11/974523111.db2.gz YXUFAVBYISPVRX-GUDVDZBRSA-N 2 2 363.465 2.508 20 30 FFEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027449361 974523115 /nfs/dbraw/zinc/52/31/15/974523115.db2.gz YXUFAVBYISPVRX-GUDVDZBRSA-N 2 2 363.465 2.508 20 30 FFEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000876750940 1014377722 /nfs/dbraw/zinc/37/77/22/1014377722.db2.gz KSXLBLOBDHAQDK-AWEZNQCLSA-N 2 2 372.860 2.732 20 30 FFEDLP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001087456538 977858731 /nfs/dbraw/zinc/85/87/31/977858731.db2.gz BWEBEVQVTLNPAH-WOJBJXKFSA-N 2 2 371.500 2.607 20 30 FFEDLP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001087456538 977858734 /nfs/dbraw/zinc/85/87/34/977858734.db2.gz BWEBEVQVTLNPAH-WOJBJXKFSA-N 2 2 371.500 2.607 20 30 FFEDLP CN(C(=O)c1coc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000866957785 980657112 /nfs/dbraw/zinc/65/71/12/980657112.db2.gz OBEAWFFTSBSOHA-RBUKOAKNSA-N 2 2 358.486 2.560 20 30 FFEDLP CN(C(=O)c1coc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000866957785 980657117 /nfs/dbraw/zinc/65/71/17/980657117.db2.gz OBEAWFFTSBSOHA-RBUKOAKNSA-N 2 2 358.486 2.560 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000907304745 981227577 /nfs/dbraw/zinc/22/75/77/981227577.db2.gz FPHPBYXQFZXSLH-WMZOPIPTSA-N 2 2 369.431 2.863 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000907304745 981227578 /nfs/dbraw/zinc/22/75/78/981227578.db2.gz FPHPBYXQFZXSLH-WMZOPIPTSA-N 2 2 369.431 2.863 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001088630939 982045872 /nfs/dbraw/zinc/04/58/72/982045872.db2.gz IRMOPDMFYUSASO-HJNYFJLDSA-N 2 2 367.537 2.788 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001088630939 982045878 /nfs/dbraw/zinc/04/58/78/982045878.db2.gz IRMOPDMFYUSASO-HJNYFJLDSA-N 2 2 367.537 2.788 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001088630939 982045883 /nfs/dbraw/zinc/04/58/83/982045883.db2.gz IRMOPDMFYUSASO-HJNYFJLDSA-N 2 2 367.537 2.788 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001088630939 982045889 /nfs/dbraw/zinc/04/58/89/982045889.db2.gz IRMOPDMFYUSASO-HJNYFJLDSA-N 2 2 367.537 2.788 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001107455129 984560206 /nfs/dbraw/zinc/56/02/06/984560206.db2.gz YXOZOMULVBCIEV-DBXWQHBBSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCC[C@@H]12 ZINC001107455129 984560208 /nfs/dbraw/zinc/56/02/08/984560208.db2.gz YXOZOMULVBCIEV-DBXWQHBBSA-N 2 2 356.514 2.773 20 30 FFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001106153755 987289381 /nfs/dbraw/zinc/28/93/81/987289381.db2.gz RMXZCUSYMBRDMF-KZNAEPCWSA-N 2 2 358.530 2.801 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033839558 989753565 /nfs/dbraw/zinc/75/35/65/989753565.db2.gz XNWSDIFRYULMNN-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001033839558 989753570 /nfs/dbraw/zinc/75/35/70/989753570.db2.gz XNWSDIFRYULMNN-GUDVDZBRSA-N 2 2 356.514 2.653 20 30 FFEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC[C@H]1c1ccc(F)cc1 ZINC001079158950 991863107 /nfs/dbraw/zinc/86/31/07/991863107.db2.gz CBLMIXNCUCPAFX-LSTHTHJFSA-N 2 2 368.456 2.581 20 30 FFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346442 996474913 /nfs/dbraw/zinc/47/49/13/996474913.db2.gz JXRJNGBRXQMRRH-ZHALLVOQSA-N 2 2 365.949 2.926 20 30 FFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346442 996474916 /nfs/dbraw/zinc/47/49/16/996474916.db2.gz JXRJNGBRXQMRRH-ZHALLVOQSA-N 2 2 365.949 2.926 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346442 996474921 /nfs/dbraw/zinc/47/49/21/996474921.db2.gz JXRJNGBRXQMRRH-ZHALLVOQSA-N 2 2 365.949 2.926 20 30 FFEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC001084346442 996474926 /nfs/dbraw/zinc/47/49/26/996474926.db2.gz JXRJNGBRXQMRRH-ZHALLVOQSA-N 2 2 365.949 2.926 20 30 FFEDLP [NH2+]=C(Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1ccc2cc(O)ccc2c1 ZINC001171185352 998567991 /nfs/dbraw/zinc/56/79/91/998567991.db2.gz VSVPNLBVZJEUHQ-UHFFFAOYSA-N 3 2 357.417 2.917 20 30 FFEDLP C#CCCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000741257015 999717020 /nfs/dbraw/zinc/71/70/20/999717020.db2.gz BCNUFJMKFCPZHH-HSZRJFAPSA-N 2 2 364.489 2.815 20 30 FFEDLP C#CCCOc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000741257015 999717022 /nfs/dbraw/zinc/71/70/22/999717022.db2.gz BCNUFJMKFCPZHH-HSZRJFAPSA-N 2 2 364.489 2.815 20 30 FFEDLP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N)CC(C)(C)C ZINC001109724396 1000900465 /nfs/dbraw/zinc/90/04/65/1000900465.db2.gz QFNWTLQIFJKFJW-AABGKKOBSA-N 2 2 368.525 2.758 20 30 FFEDLP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1C#N)CC(C)(C)C ZINC001109724396 1000900469 /nfs/dbraw/zinc/90/04/69/1000900469.db2.gz QFNWTLQIFJKFJW-AABGKKOBSA-N 2 2 368.525 2.758 20 30 FFEDLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1C#N)CC(C)(C)C ZINC001109724396 1000900474 /nfs/dbraw/zinc/90/04/74/1000900474.db2.gz QFNWTLQIFJKFJW-AABGKKOBSA-N 2 2 368.525 2.758 20 30 FFEDLP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C#N)CC(C)(C)C ZINC001109724396 1000900480 /nfs/dbraw/zinc/90/04/80/1000900480.db2.gz QFNWTLQIFJKFJW-AABGKKOBSA-N 2 2 368.525 2.758 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684701 1001054834 /nfs/dbraw/zinc/05/48/34/1001054834.db2.gz LLRMUFQGMAZBOY-MDZRGWNJSA-N 2 2 364.921 2.929 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@]2(C)C1 ZINC001091684701 1001054839 /nfs/dbraw/zinc/05/48/39/1001054839.db2.gz LLRMUFQGMAZBOY-MDZRGWNJSA-N 2 2 364.921 2.929 20 30 FFEDLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183838404 1002406997 /nfs/dbraw/zinc/40/69/97/1002406997.db2.gz GUMBXPMUGUOVBW-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2C#N)C1 ZINC001183838404 1002406999 /nfs/dbraw/zinc/40/69/99/1002406999.db2.gz GUMBXPMUGUOVBW-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)C1 ZINC001183838404 1002407000 /nfs/dbraw/zinc/40/70/00/1002407000.db2.gz GUMBXPMUGUOVBW-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC001183838404 1002407003 /nfs/dbraw/zinc/40/70/03/1002407003.db2.gz GUMBXPMUGUOVBW-RXVVDRJESA-N 2 2 368.525 2.761 20 30 FFEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(Br)ccc3C#N)C2)CC1 ZINC001185314333 1002909763 /nfs/dbraw/zinc/90/97/63/1002909763.db2.gz VCMOIDTXNFICOP-HNNXBMFYSA-N 2 2 363.303 2.901 20 30 FFEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(Br)ccc3C#N)C2)CC1 ZINC001185314333 1002909784 /nfs/dbraw/zinc/90/97/84/1002909784.db2.gz VCMOIDTXNFICOP-HNNXBMFYSA-N 2 2 363.303 2.901 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(CC)cc1 ZINC001095556569 1016753242 /nfs/dbraw/zinc/75/32/42/1016753242.db2.gz ZKTVHKNDUDQAJP-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(CC)cc1 ZINC001095556569 1016753253 /nfs/dbraw/zinc/75/32/53/1016753253.db2.gz ZKTVHKNDUDQAJP-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(CC)cc1 ZINC001095556569 1016753258 /nfs/dbraw/zinc/75/32/58/1016753258.db2.gz ZKTVHKNDUDQAJP-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(CC)cc1 ZINC001095556569 1016753266 /nfs/dbraw/zinc/75/32/66/1016753266.db2.gz ZKTVHKNDUDQAJP-MLNNCEHLSA-N 2 2 365.521 2.568 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193996491 1004636617 /nfs/dbraw/zinc/63/66/17/1004636617.db2.gz FZQMCNCFVATEHL-GUDVDZBRSA-N 2 2 364.534 2.602 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193996491 1004636621 /nfs/dbraw/zinc/63/66/21/1004636621.db2.gz FZQMCNCFVATEHL-GUDVDZBRSA-N 2 2 364.534 2.602 20 30 FFEDLP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C)n1cc[nH+]c1 ZINC001489292445 1005450675 /nfs/dbraw/zinc/45/06/75/1005450675.db2.gz AYLFXQCGYCJBKR-CPUCHLNUSA-N 2 2 357.483 2.547 20 30 FFEDLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C)n1cc[nH+]c1 ZINC001489292445 1005450676 /nfs/dbraw/zinc/45/06/76/1005450676.db2.gz AYLFXQCGYCJBKR-CPUCHLNUSA-N 2 2 357.483 2.547 20 30 FFEDLP C#C[C@H](CCC)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000820647140 1008362033 /nfs/dbraw/zinc/36/20/33/1008362033.db2.gz OCZQJYSZJPDVRW-HOJAQTOUSA-N 2 2 362.562 2.767 20 30 FFEDLP C#C[C@H](CCC)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000820647140 1008362036 /nfs/dbraw/zinc/36/20/36/1008362036.db2.gz OCZQJYSZJPDVRW-HOJAQTOUSA-N 2 2 362.562 2.767 20 30 FFEDLP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093372631 1010232158 /nfs/dbraw/zinc/23/21/58/1010232158.db2.gz GDRHKEKMBVQQPF-GGPKGHCWSA-N 2 2 366.509 2.630 20 30 FFEDLP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001093372631 1010232166 /nfs/dbraw/zinc/23/21/66/1010232166.db2.gz GDRHKEKMBVQQPF-GGPKGHCWSA-N 2 2 366.509 2.630 20 30 FFEDLP C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093372631 1010232172 /nfs/dbraw/zinc/23/21/72/1010232172.db2.gz GDRHKEKMBVQQPF-GGPKGHCWSA-N 2 2 366.509 2.630 20 30 FFEDLP C#CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001093372631 1010232186 /nfs/dbraw/zinc/23/21/86/1010232186.db2.gz GDRHKEKMBVQQPF-GGPKGHCWSA-N 2 2 366.509 2.630 20 30 FFEDLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1)n1cc[nH+]c1 ZINC001094079066 1010838685 /nfs/dbraw/zinc/83/86/85/1010838685.db2.gz PLRMXYBDTBWPSJ-FUHIMQAGSA-N 2 2 365.481 2.590 20 30 FFEDLP C=CCC[NH+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[N@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419757 1011103712 /nfs/dbraw/zinc/10/37/12/1011103712.db2.gz BKQWCRDXTHKRCG-QKNQBKEWSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCC[NH+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[N@@H+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419757 1011103717 /nfs/dbraw/zinc/10/37/17/1011103717.db2.gz BKQWCRDXTHKRCG-QKNQBKEWSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419757 1011103721 /nfs/dbraw/zinc/10/37/21/1011103721.db2.gz BKQWCRDXTHKRCG-QKNQBKEWSA-N 2 2 371.529 2.727 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3cc([C@@H]4CCC[NH+]4C)n[nH]3)CCC[C@@H]12 ZINC001094419757 1011103725 /nfs/dbraw/zinc/10/37/25/1011103725.db2.gz BKQWCRDXTHKRCG-QKNQBKEWSA-N 2 2 371.529 2.727 20 30 FFEDLP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC001094481582 1011170312 /nfs/dbraw/zinc/17/03/12/1011170312.db2.gz UCKHXBCVGKBUSG-IFMALSPDSA-N 2 2 362.477 2.870 20 30 FFEDLP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCC[C@@H]12 ZINC001094481582 1011170315 /nfs/dbraw/zinc/17/03/15/1011170315.db2.gz UCKHXBCVGKBUSG-IFMALSPDSA-N 2 2 362.477 2.870 20 30 FFEDLP CCCCCCCC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275113499 1011955510 /nfs/dbraw/zinc/95/55/10/1011955510.db2.gz CZXLVMIHTXORQN-FQEVSTJZSA-N 2 2 362.518 2.547 20 30 FFEDLP CCCCCCCC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001275113499 1011955515 /nfs/dbraw/zinc/95/55/15/1011955515.db2.gz CZXLVMIHTXORQN-FQEVSTJZSA-N 2 2 362.518 2.547 20 30 FFEDLP C=CCCCCC[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275329093 1012309207 /nfs/dbraw/zinc/30/92/07/1012309207.db2.gz MAAHPKCAJRAGDT-HXUWFJFHSA-N 2 2 358.486 2.508 20 30 FFEDLP C=CCCCCC[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001275329093 1012309218 /nfs/dbraw/zinc/30/92/18/1012309218.db2.gz MAAHPKCAJRAGDT-HXUWFJFHSA-N 2 2 358.486 2.508 20 30 FFEDLP C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001275540068 1012596703 /nfs/dbraw/zinc/59/67/03/1012596703.db2.gz CVIPVOBFXIGCFQ-NRFANRHFSA-N 2 2 350.466 2.873 20 30 FFEDLP C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1=O ZINC001275540068 1012596709 /nfs/dbraw/zinc/59/67/09/1012596709.db2.gz CVIPVOBFXIGCFQ-NRFANRHFSA-N 2 2 350.466 2.873 20 30 FFEDLP C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001275542626 1012602431 /nfs/dbraw/zinc/60/24/31/1012602431.db2.gz YRWXOMUDVOSWOO-IBGZPJMESA-N 2 2 350.466 2.777 20 30 FFEDLP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC001016629593 1022058766 /nfs/dbraw/zinc/05/87/66/1022058766.db2.gz QJPBMGMAPZHKBZ-GUDVDZBRSA-N 2 2 368.525 2.701 20 30 FFEDLP C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095809814 1023929402 /nfs/dbraw/zinc/92/94/02/1023929402.db2.gz AWYXSCSFWZPFKL-NEWSRXKRSA-N 2 2 361.917 2.878 20 30 FFEDLP C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001095809814 1023929409 /nfs/dbraw/zinc/92/94/09/1023929409.db2.gz AWYXSCSFWZPFKL-NEWSRXKRSA-N 2 2 361.917 2.878 20 30 FFEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000192355775 1024091314 /nfs/dbraw/zinc/09/13/14/1024091314.db2.gz XJZWWPJFEBICEL-OAQYLSRUSA-N 2 2 365.477 2.948 20 30 FFEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1C#N ZINC000192355775 1024091328 /nfs/dbraw/zinc/09/13/28/1024091328.db2.gz XJZWWPJFEBICEL-OAQYLSRUSA-N 2 2 365.477 2.948 20 30 FFEDLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413278 1025927348 /nfs/dbraw/zinc/92/73/48/1025927348.db2.gz AHKZCEOAXKKRJE-SVFBPWRDSA-N 2 2 364.493 2.570 20 30 FFEDLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1C)n1cc[nH+]c1 ZINC001102413278 1025927364 /nfs/dbraw/zinc/92/73/64/1025927364.db2.gz AHKZCEOAXKKRJE-SVFBPWRDSA-N 2 2 364.493 2.570 20 30 FFEDLP C=CCCC[N@@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001102509171 1026165652 /nfs/dbraw/zinc/16/56/52/1026165652.db2.gz YEWHLOFSFARCSB-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H](C)C1 ZINC001102509171 1026165655 /nfs/dbraw/zinc/16/56/55/1026165655.db2.gz YEWHLOFSFARCSB-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001162832293 1028673932 /nfs/dbraw/zinc/67/39/32/1028673932.db2.gz NIXHXCXQHFFKEU-RTBURBONSA-N 2 2 352.482 2.750 20 30 FFEDLP C=C(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001162832293 1028673941 /nfs/dbraw/zinc/67/39/41/1028673941.db2.gz NIXHXCXQHFFKEU-RTBURBONSA-N 2 2 352.482 2.750 20 30 FFEDLP C=CC[N@@H+](C)CCN(CC)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC001156672851 1029301520 /nfs/dbraw/zinc/30/15/20/1029301520.db2.gz ZENOWMUJQVTOQL-UHFFFAOYSA-N 2 2 367.497 2.977 20 30 FFEDLP C=CC[N@H+](C)CCN(CC)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC001156672851 1029301531 /nfs/dbraw/zinc/30/15/31/1029301531.db2.gz ZENOWMUJQVTOQL-UHFFFAOYSA-N 2 2 367.497 2.977 20 30 FFEDLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001156775185 1029340904 /nfs/dbraw/zinc/34/09/04/1029340904.db2.gz CGNSXTVLTNKKCO-UHFFFAOYSA-N 2 2 358.449 2.811 20 30 FFEDLP CC(C)(C)N(c1[nH+]ccc2[nH]cc(C#N)c21)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001165671194 1030076869 /nfs/dbraw/zinc/07/68/69/1030076869.db2.gz YHCAGSWUVKKAPO-OAHLLOKOSA-N 2 2 353.470 2.951 20 30 FFEDLP CC[NH+](CC)CC#C[C@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796768441 1030911871 /nfs/dbraw/zinc/91/18/71/1030911871.db2.gz CFJYFGSRMCXFAM-ZDUSSCGKSA-N 2 2 363.408 2.900 20 30 FFEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777260 1033810619 /nfs/dbraw/zinc/81/06/19/1033810619.db2.gz FGGPSMQFAPAZAG-FQEVSTJZSA-N 2 2 366.509 2.561 20 30 FFEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777260 1033810631 /nfs/dbraw/zinc/81/06/31/1033810631.db2.gz FGGPSMQFAPAZAG-FQEVSTJZSA-N 2 2 366.509 2.561 20 30 FFEDLP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)[C@@H]2CC ZINC001235525158 1037609182 /nfs/dbraw/zinc/60/91/82/1037609182.db2.gz FNOZEYVMXHECOY-SJBKTWHCSA-N 2 2 355.526 2.978 20 30 FFEDLP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]([NH3+])Cc1ccccc1)[C@@H]2CC ZINC001235525158 1037609189 /nfs/dbraw/zinc/60/91/89/1037609189.db2.gz FNOZEYVMXHECOY-SJBKTWHCSA-N 2 2 355.526 2.978 20 30 FFEDLP CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001277576444 1037945376 /nfs/dbraw/zinc/94/53/76/1037945376.db2.gz FRUPJGISPUFYMU-GUDVDZBRSA-N 2 2 365.481 2.706 20 30 FFEDLP CC(C)[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001277576444 1037945389 /nfs/dbraw/zinc/94/53/89/1037945389.db2.gz FRUPJGISPUFYMU-GUDVDZBRSA-N 2 2 365.481 2.706 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232150583 1038201101 /nfs/dbraw/zinc/20/11/01/1038201101.db2.gz HGRSZJKWCZEOAV-UHFFFAOYSA-N 3 2 374.548 2.679 20 30 FFEDLP N#Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001278895567 1038244637 /nfs/dbraw/zinc/24/46/37/1038244637.db2.gz UZZRODMSDHJTRP-HDICACEKSA-N 2 2 350.466 2.936 20 30 FFEDLP N#Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001278895567 1038244651 /nfs/dbraw/zinc/24/46/51/1038244651.db2.gz UZZRODMSDHJTRP-HDICACEKSA-N 2 2 350.466 2.936 20 30 FFEDLP N#Cc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001278895567 1038244660 /nfs/dbraw/zinc/24/46/60/1038244660.db2.gz UZZRODMSDHJTRP-HDICACEKSA-N 2 2 350.466 2.936 20 30 FFEDLP N#Cc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001278895567 1038244674 /nfs/dbraw/zinc/24/46/74/1038244674.db2.gz UZZRODMSDHJTRP-HDICACEKSA-N 2 2 350.466 2.936 20 30 FFEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208857907 1038558607 /nfs/dbraw/zinc/55/86/07/1038558607.db2.gz AZPQKZBFSGTDSP-QFIPXVFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208857907 1038558612 /nfs/dbraw/zinc/55/86/12/1038558612.db2.gz AZPQKZBFSGTDSP-QFIPXVFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208857907 1038558619 /nfs/dbraw/zinc/55/86/19/1038558619.db2.gz AZPQKZBFSGTDSP-QFIPXVFZSA-N 2 2 371.525 2.552 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CCCc3ccc(C#N)cc3)C2)C1 ZINC001208857907 1038558627 /nfs/dbraw/zinc/55/86/27/1038558627.db2.gz AZPQKZBFSGTDSP-QFIPXVFZSA-N 2 2 371.525 2.552 20 30 FFEDLP CC[NH+](CC)CC[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001251664868 1039237919 /nfs/dbraw/zinc/23/79/19/1039237919.db2.gz LLDLVYYFPSMVEB-GOSISDBHSA-N 2 2 371.529 2.506 20 30 FFEDLP C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[NH2+]1 ZINC001246768807 1039473489 /nfs/dbraw/zinc/47/34/89/1039473489.db2.gz VGKHWPPENLBHFP-BVYCBKJFSA-N 2 2 368.525 2.618 20 30 FFEDLP C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[NH2+]1 ZINC001246768807 1039473497 /nfs/dbraw/zinc/47/34/97/1039473497.db2.gz VGKHWPPENLBHFP-BVYCBKJFSA-N 2 2 368.525 2.618 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001340589662 1050974499 /nfs/dbraw/zinc/97/44/99/1050974499.db2.gz ZNQMQHBUFXRTLD-IEBWSBKVSA-N 2 2 370.545 2.513 20 30 FFEDLP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001340589662 1050974515 /nfs/dbraw/zinc/97/45/15/1050974515.db2.gz ZNQMQHBUFXRTLD-IEBWSBKVSA-N 2 2 370.545 2.513 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001515295955 1059510778 /nfs/dbraw/zinc/51/07/78/1059510778.db2.gz LXUUMDSESJZTDP-SQNIBIBYSA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC001515295955 1059510812 /nfs/dbraw/zinc/51/08/12/1059510812.db2.gz LXUUMDSESJZTDP-SQNIBIBYSA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001515295955 1059510832 /nfs/dbraw/zinc/51/08/32/1059510832.db2.gz LXUUMDSESJZTDP-SQNIBIBYSA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC001515295955 1059510851 /nfs/dbraw/zinc/51/08/51/1059510851.db2.gz LXUUMDSESJZTDP-SQNIBIBYSA-N 2 2 360.550 2.787 20 30 FFEDLP C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[NH+](CC)CC1 ZINC001515345353 1059587937 /nfs/dbraw/zinc/58/79/37/1059587937.db2.gz WSXRTQNKUAPPCS-GOSISDBHSA-N 2 2 371.533 2.828 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001520305230 1059589093 /nfs/dbraw/zinc/58/90/93/1059589093.db2.gz JTXXYHLYEHSAQD-OKYOBFRVSA-N 2 2 372.561 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001520305230 1059589114 /nfs/dbraw/zinc/58/91/14/1059589114.db2.gz JTXXYHLYEHSAQD-OKYOBFRVSA-N 2 2 372.561 2.787 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001355967629 1060769370 /nfs/dbraw/zinc/76/93/70/1060769370.db2.gz LPRTUWZOXYKDKH-GOSISDBHSA-N 2 2 360.550 2.618 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001355967629 1060769382 /nfs/dbraw/zinc/76/93/82/1060769382.db2.gz LPRTUWZOXYKDKH-GOSISDBHSA-N 2 2 360.550 2.618 20 30 FFEDLP C=CCCCC[NH+]1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001473641199 1065305831 /nfs/dbraw/zinc/30/58/31/1065305831.db2.gz IPBMYANRYGBTNN-UHFFFAOYSA-N 2 2 370.541 2.898 20 30 FFEDLP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1cccc(C#N)c1 ZINC001567643225 1077041433 /nfs/dbraw/zinc/04/14/33/1077041433.db2.gz JBRFIGUUQKYYTA-RTBURBONSA-N 2 2 365.481 2.802 20 30 FFEDLP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1cccc(C#N)c1 ZINC001567643225 1077041437 /nfs/dbraw/zinc/04/14/37/1077041437.db2.gz JBRFIGUUQKYYTA-RTBURBONSA-N 2 2 365.481 2.802 20 30 FFEDLP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1cccc(C#N)c1 ZINC001567643225 1077041441 /nfs/dbraw/zinc/04/14/41/1077041441.db2.gz JBRFIGUUQKYYTA-RTBURBONSA-N 2 2 365.481 2.802 20 30 FFEDLP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1cccc(C#N)c1 ZINC001567643225 1077041446 /nfs/dbraw/zinc/04/14/46/1077041446.db2.gz JBRFIGUUQKYYTA-RTBURBONSA-N 2 2 365.481 2.802 20 30 FFEDLP CC(=O)c1ccc(C#N)cc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000302141198 258090454 /nfs/dbraw/zinc/09/04/54/258090454.db2.gz PAVKNFHFDILRND-DFNIBXOVSA-N 2 2 352.482 2.508 20 30 FFEDLP CC(=O)c1ccc(C#N)cc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000302141198 258090456 /nfs/dbraw/zinc/09/04/56/258090456.db2.gz PAVKNFHFDILRND-DFNIBXOVSA-N 2 2 352.482 2.508 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000057152931 507186306 /nfs/dbraw/zinc/18/63/06/507186306.db2.gz HPXZBNDJOWSPHX-OAHLLOKOSA-N 2 2 360.527 2.659 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000057152931 507186313 /nfs/dbraw/zinc/18/63/13/507186313.db2.gz HPXZBNDJOWSPHX-OAHLLOKOSA-N 2 2 360.527 2.659 20 30 FFEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000072898017 507870503 /nfs/dbraw/zinc/87/05/03/507870503.db2.gz HEDYWBSTSUJUAQ-LEWJYISDSA-N 2 2 368.525 2.747 20 30 FFEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000072898017 507870505 /nfs/dbraw/zinc/87/05/05/507870505.db2.gz HEDYWBSTSUJUAQ-LEWJYISDSA-N 2 2 368.525 2.747 20 30 FFEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000116393599 508506294 /nfs/dbraw/zinc/50/62/94/508506294.db2.gz MHXOSFKZDOZEMN-IERDGZPVSA-N 2 2 362.477 2.900 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC000137460175 508757050 /nfs/dbraw/zinc/75/70/50/508757050.db2.gz OREWIFKTKOHRTO-SJLPKXTDSA-N 2 2 367.534 2.641 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159084152 508790571 /nfs/dbraw/zinc/79/05/71/508790571.db2.gz ZMYQGJSUIAHEAL-HMXCVIKNSA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159084152 508790574 /nfs/dbraw/zinc/79/05/74/508790574.db2.gz ZMYQGJSUIAHEAL-HMXCVIKNSA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159084152 508790576 /nfs/dbraw/zinc/79/05/76/508790576.db2.gz ZMYQGJSUIAHEAL-HMXCVIKNSA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159084152 508790577 /nfs/dbraw/zinc/79/05/77/508790577.db2.gz ZMYQGJSUIAHEAL-HMXCVIKNSA-N 2 2 368.525 2.733 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159124957 508796109 /nfs/dbraw/zinc/79/61/09/508796109.db2.gz YSVNIPUUFRYELZ-RTWAWAEBSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159124957 508796111 /nfs/dbraw/zinc/79/61/11/508796111.db2.gz YSVNIPUUFRYELZ-RTWAWAEBSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159124957 508796115 /nfs/dbraw/zinc/79/61/15/508796115.db2.gz YSVNIPUUFRYELZ-RTWAWAEBSA-N 2 2 368.525 2.735 20 30 FFEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159124957 508796117 /nfs/dbraw/zinc/79/61/17/508796117.db2.gz YSVNIPUUFRYELZ-RTWAWAEBSA-N 2 2 368.525 2.735 20 30 FFEDLP C[NH+]1CCC(CNC(=O)CCc2ccc(C#N)cc2)([NH+]2CCCCC2)CC1 ZINC000172749255 509211668 /nfs/dbraw/zinc/21/16/68/509211668.db2.gz LDVLOFXHWWWRKF-UHFFFAOYSA-N 2 2 368.525 2.557 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248215247 509261347 /nfs/dbraw/zinc/26/13/47/509261347.db2.gz ZMYQGJSUIAHEAL-GIVPXCGWSA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248215247 509261348 /nfs/dbraw/zinc/26/13/48/509261348.db2.gz ZMYQGJSUIAHEAL-GIVPXCGWSA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248215247 509261350 /nfs/dbraw/zinc/26/13/50/509261350.db2.gz ZMYQGJSUIAHEAL-GIVPXCGWSA-N 2 2 368.525 2.733 20 30 FFEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248215247 509261352 /nfs/dbraw/zinc/26/13/52/509261352.db2.gz ZMYQGJSUIAHEAL-GIVPXCGWSA-N 2 2 368.525 2.733 20 30 FFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000192068696 509330022 /nfs/dbraw/zinc/33/00/22/509330022.db2.gz GKWDBVXGDFNDHV-KRWDZBQOSA-N 2 2 373.464 2.553 20 30 FFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000192068696 509330028 /nfs/dbraw/zinc/33/00/28/509330028.db2.gz GKWDBVXGDFNDHV-KRWDZBQOSA-N 2 2 373.464 2.553 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177058599 509846244 /nfs/dbraw/zinc/84/62/44/509846244.db2.gz AYGOYJYQVVGZNF-HZPDHXFCSA-N 2 2 369.494 2.821 20 30 FFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000177058599 509846251 /nfs/dbraw/zinc/84/62/51/509846251.db2.gz AYGOYJYQVVGZNF-HZPDHXFCSA-N 2 2 369.494 2.821 20 30 FFEDLP C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245516749 509979994 /nfs/dbraw/zinc/97/99/94/509979994.db2.gz GEEFCOVHWGMFOQ-LSTHTHJFSA-N 2 2 363.465 2.833 20 30 FFEDLP CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245722212 510107623 /nfs/dbraw/zinc/10/76/23/510107623.db2.gz QDUDWJYKHVTUGJ-NHCUHLMSSA-N 2 2 368.525 2.967 20 30 FFEDLP CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245722212 510107628 /nfs/dbraw/zinc/10/76/28/510107628.db2.gz QDUDWJYKHVTUGJ-NHCUHLMSSA-N 2 2 368.525 2.967 20 30 FFEDLP CO[C@@H](C)c1noc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000177568672 510138557 /nfs/dbraw/zinc/13/85/57/510138557.db2.gz ZMFBNNROFWGEON-AWEZNQCLSA-N 2 2 373.457 2.600 20 30 FFEDLP CO[C@H](C)c1noc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000177571614 510140043 /nfs/dbraw/zinc/14/00/43/510140043.db2.gz XASRYXVSDDDUJT-CQSZACIVSA-N 2 2 373.457 2.600 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(CO)c(F)c3)CC2)cc1 ZINC000181565863 510477098 /nfs/dbraw/zinc/47/70/98/510477098.db2.gz WJXKAQDFXBJRKS-UHFFFAOYSA-N 2 2 353.441 2.944 20 30 FFEDLP C#CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000270420189 510803100 /nfs/dbraw/zinc/80/31/00/510803100.db2.gz NBXPKJFIIIDNIJ-OAQYLSRUSA-N 2 2 368.525 2.609 20 30 FFEDLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329950688 510885483 /nfs/dbraw/zinc/88/54/83/510885483.db2.gz LZPAMEDTGBRJLU-CQSZACIVSA-N 2 2 361.877 2.819 20 30 FFEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000329993742 510896031 /nfs/dbraw/zinc/89/60/31/510896031.db2.gz LQVBQWOTZHRFBL-HXUWFJFHSA-N 2 2 372.513 2.813 20 30 FFEDLP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000329993742 510896034 /nfs/dbraw/zinc/89/60/34/510896034.db2.gz LQVBQWOTZHRFBL-HXUWFJFHSA-N 2 2 372.513 2.813 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277371171 510961783 /nfs/dbraw/zinc/96/17/83/510961783.db2.gz XPWYQSYRHPSEOD-MSOLQXFVSA-N 2 2 372.513 2.746 20 30 FFEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277371171 510961787 /nfs/dbraw/zinc/96/17/87/510961787.db2.gz XPWYQSYRHPSEOD-MSOLQXFVSA-N 2 2 372.513 2.746 20 30 FFEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575605 510999246 /nfs/dbraw/zinc/99/92/46/510999246.db2.gz JREIKDUNZFWRKW-AABGKKOBSA-N 2 2 353.514 2.608 20 30 FFEDLP N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC000278575605 510999250 /nfs/dbraw/zinc/99/92/50/510999250.db2.gz JREIKDUNZFWRKW-AABGKKOBSA-N 2 2 353.514 2.608 20 30 FFEDLP CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000271913461 511369401 /nfs/dbraw/zinc/36/94/01/511369401.db2.gz YGTJQEFCRGWUHJ-PZJWPPBQSA-N 2 2 368.525 2.759 20 30 FFEDLP COc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ccc1C#N ZINC000281615608 511910212 /nfs/dbraw/zinc/91/02/12/511910212.db2.gz HACMBEYIMPPONI-GOSISDBHSA-N 2 2 351.454 2.714 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)CC1 ZINC000328670362 511912255 /nfs/dbraw/zinc/91/22/55/511912255.db2.gz GKOUVKLKYWIELF-SFHVURJKSA-N 2 2 358.486 2.831 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)CC1 ZINC000328670362 511912258 /nfs/dbraw/zinc/91/22/58/511912258.db2.gz GKOUVKLKYWIELF-SFHVURJKSA-N 2 2 358.486 2.831 20 30 FFEDLP CC[N@H+]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000328812700 511934667 /nfs/dbraw/zinc/93/46/67/511934667.db2.gz FRQJUZVVWRYEES-UHFFFAOYSA-N 2 2 351.520 2.702 20 30 FFEDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329828151 512102686 /nfs/dbraw/zinc/10/26/86/512102686.db2.gz RUSKVWKCGODIIU-HZPDHXFCSA-N 2 2 361.877 2.960 20 30 FFEDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000329828151 512102689 /nfs/dbraw/zinc/10/26/89/512102689.db2.gz RUSKVWKCGODIIU-HZPDHXFCSA-N 2 2 361.877 2.960 20 30 FFEDLP COC(=O)N1CCC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000367708371 512626000 /nfs/dbraw/zinc/62/60/00/512626000.db2.gz OHKISGWIYWAFJR-UHFFFAOYSA-N 2 2 370.497 2.591 20 30 FFEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000389290826 512900123 /nfs/dbraw/zinc/90/01/23/512900123.db2.gz BZUMYKJTBMSLHV-SFTDATJTSA-N 2 2 365.477 2.552 20 30 FFEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000389290826 512900127 /nfs/dbraw/zinc/90/01/27/512900127.db2.gz BZUMYKJTBMSLHV-SFTDATJTSA-N 2 2 365.477 2.552 20 30 FFEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000372951299 513113460 /nfs/dbraw/zinc/11/34/60/513113460.db2.gz PXZKYKVHRJTCMQ-ZDUSSCGKSA-N 2 2 353.392 2.552 20 30 FFEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000372951299 513113461 /nfs/dbraw/zinc/11/34/61/513113461.db2.gz PXZKYKVHRJTCMQ-ZDUSSCGKSA-N 2 2 353.392 2.552 20 30 FFEDLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000435022763 513490757 /nfs/dbraw/zinc/49/07/57/513490757.db2.gz CWDBRIHDNDYGNZ-FQEVSTJZSA-N 2 2 373.497 2.595 20 30 FFEDLP Cc1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413203676 513518634 /nfs/dbraw/zinc/51/86/34/513518634.db2.gz NPOPLPGJYYNKMN-UHFFFAOYSA-N 2 2 371.485 2.770 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525387 513808684 /nfs/dbraw/zinc/80/86/84/513808684.db2.gz GBENVIJJGZDXQK-GHTZIAJQSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525387 513808686 /nfs/dbraw/zinc/80/86/86/513808686.db2.gz GBENVIJJGZDXQK-GHTZIAJQSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525387 513808695 /nfs/dbraw/zinc/80/86/95/513808695.db2.gz GBENVIJJGZDXQK-GHTZIAJQSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)c3cccc(C#N)c3)C2)CC1 ZINC000451525387 513808703 /nfs/dbraw/zinc/80/87/03/513808703.db2.gz GBENVIJJGZDXQK-GHTZIAJQSA-N 2 2 368.525 2.885 20 30 FFEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+](Cc2ccco2)CC1)C(C)C ZINC000503431765 515032161 /nfs/dbraw/zinc/03/21/61/515032161.db2.gz GETFAJJUGFOKLD-HXUWFJFHSA-N 2 2 374.529 2.805 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852448 515088479 /nfs/dbraw/zinc/08/84/79/515088479.db2.gz HPMFWIDTUYFITM-ZJOUEHCJSA-N 2 2 362.562 2.873 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852448 515088488 /nfs/dbraw/zinc/08/84/88/515088488.db2.gz HPMFWIDTUYFITM-ZJOUEHCJSA-N 2 2 362.562 2.873 20 30 FFEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481924230 515514299 /nfs/dbraw/zinc/51/42/99/515514299.db2.gz QMAJRXHZQIOEKQ-NHCUHLMSSA-N 2 2 368.525 2.858 20 30 FFEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481924230 515514309 /nfs/dbraw/zinc/51/43/09/515514309.db2.gz QMAJRXHZQIOEKQ-NHCUHLMSSA-N 2 2 368.525 2.858 20 30 FFEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469581749 515878816 /nfs/dbraw/zinc/87/88/16/515878816.db2.gz AIFNGALSNPGNMF-KRWDZBQOSA-N 2 2 369.513 2.571 20 30 FFEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469581749 515878824 /nfs/dbraw/zinc/87/88/24/515878824.db2.gz AIFNGALSNPGNMF-KRWDZBQOSA-N 2 2 369.513 2.571 20 30 FFEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512610809 516312938 /nfs/dbraw/zinc/31/29/38/516312938.db2.gz FCIAPIQLRHYHOH-IIBYNOLFSA-N 2 2 353.441 2.985 20 30 FFEDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512610809 516312942 /nfs/dbraw/zinc/31/29/42/516312942.db2.gz FCIAPIQLRHYHOH-IIBYNOLFSA-N 2 2 353.441 2.985 20 30 FFEDLP CC(C)[NH+]1CCC([NH+](C)CC#CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000556498046 517462511 /nfs/dbraw/zinc/46/25/11/517462511.db2.gz UPPGGWCRQOZQDH-UHFFFAOYSA-N 4 2 362.606 2.599 20 30 FFEDLP CC(C)[NH+]1CCC([NH+](C)CC#CC[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000556498046 517462521 /nfs/dbraw/zinc/46/25/21/517462521.db2.gz UPPGGWCRQOZQDH-UHFFFAOYSA-N 4 2 362.606 2.599 20 30 FFEDLP C=CCc1cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c(O)c(OC)c1 ZINC000530103406 517567025 /nfs/dbraw/zinc/56/70/25/517567025.db2.gz GMCSBCVGTIVNSS-UHFFFAOYSA-N 2 2 360.498 2.816 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000534612427 517966074 /nfs/dbraw/zinc/96/60/74/517966074.db2.gz OOWFNGVXDIVWDG-HXUWFJFHSA-N 2 2 367.493 2.680 20 30 FFEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000572603083 518271807 /nfs/dbraw/zinc/27/18/07/518271807.db2.gz SILRCQVVPRJRJD-GOSISDBHSA-N 2 2 371.448 2.924 20 30 FFEDLP Cc1ccc([C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)[NH+](C)C)cc1 ZINC000582355338 518713935 /nfs/dbraw/zinc/71/39/35/518713935.db2.gz HFZXLVZXYBOQRZ-UNMCSNQZSA-N 2 2 367.493 2.693 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC1 ZINC000568190709 518915829 /nfs/dbraw/zinc/91/58/29/518915829.db2.gz MJLCSKDOYUOWSO-CQSZACIVSA-N 2 2 358.408 2.613 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000571754128 519256894 /nfs/dbraw/zinc/25/68/94/519256894.db2.gz INBYSYMTMBPENX-LJQANCHMSA-N 3 2 356.514 2.644 20 30 FFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000578125709 519429925 /nfs/dbraw/zinc/42/99/25/519429925.db2.gz ONOYQOJBFDBQLS-DOTOQJQBSA-N 2 2 363.465 2.908 20 30 FFEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000578125709 519429931 /nfs/dbraw/zinc/42/99/31/519429931.db2.gz ONOYQOJBFDBQLS-DOTOQJQBSA-N 2 2 363.465 2.908 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000584060853 519572236 /nfs/dbraw/zinc/57/22/36/519572236.db2.gz HKBVYRBNMUMIPZ-AWEZNQCLSA-N 2 2 357.845 2.763 20 30 FFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000584060853 519572243 /nfs/dbraw/zinc/57/22/43/519572243.db2.gz HKBVYRBNMUMIPZ-AWEZNQCLSA-N 2 2 357.845 2.763 20 30 FFEDLP CCc1[nH+]c2cc(CNC(=O)[C@H]([NH3+])CCCCC#N)ccc2n1C1CC1 ZINC000594456404 519974808 /nfs/dbraw/zinc/97/48/08/519974808.db2.gz OUXQVEUEOZHYCP-MRXNPFEDSA-N 2 2 353.470 2.961 20 30 FFEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccncc1C#N ZINC000592071417 520166011 /nfs/dbraw/zinc/16/60/11/520166011.db2.gz JFAFBCRADVJXOV-UHFFFAOYSA-N 3 2 355.530 2.581 20 30 FFEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccncc1C#N ZINC000592071417 520166024 /nfs/dbraw/zinc/16/60/24/520166024.db2.gz JFAFBCRADVJXOV-UHFFFAOYSA-N 3 2 355.530 2.581 20 30 FFEDLP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594965106 520231758 /nfs/dbraw/zinc/23/17/58/520231758.db2.gz ONRDGUYCBWOONL-FCEUIQTBSA-N 2 2 371.525 2.678 20 30 FFEDLP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594965105 520232402 /nfs/dbraw/zinc/23/24/02/520232402.db2.gz ONRDGUYCBWOONL-CEMLEFRQSA-N 2 2 371.525 2.678 20 30 FFEDLP CN1c2ccccc2C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1=O ZINC000594968174 520234699 /nfs/dbraw/zinc/23/46/99/520234699.db2.gz VMVXCWUHLDNXBG-NRFANRHFSA-N 2 2 374.488 2.700 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504037 520513794 /nfs/dbraw/zinc/51/37/94/520513794.db2.gz DFQQZGASKQRUBC-WIYYLYMNSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504037 520513800 /nfs/dbraw/zinc/51/38/00/520513800.db2.gz DFQQZGASKQRUBC-WIYYLYMNSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504037 520513808 /nfs/dbraw/zinc/51/38/08/520513808.db2.gz DFQQZGASKQRUBC-WIYYLYMNSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504037 520513815 /nfs/dbraw/zinc/51/38/15/520513815.db2.gz DFQQZGASKQRUBC-WIYYLYMNSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504034 520513923 /nfs/dbraw/zinc/51/39/23/520513923.db2.gz DFQQZGASKQRUBC-NQIIRXRSSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504034 520513928 /nfs/dbraw/zinc/51/39/28/520513928.db2.gz DFQQZGASKQRUBC-NQIIRXRSSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504034 520513936 /nfs/dbraw/zinc/51/39/36/520513936.db2.gz DFQQZGASKQRUBC-NQIIRXRSSA-N 2 2 354.498 2.739 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504034 520513943 /nfs/dbraw/zinc/51/39/43/520513943.db2.gz DFQQZGASKQRUBC-NQIIRXRSSA-N 2 2 354.498 2.739 20 30 FFEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595727390 520676120 /nfs/dbraw/zinc/67/61/20/520676120.db2.gz XZZNUWGUMUJJNQ-LJQANCHMSA-N 2 2 364.497 2.555 20 30 FFEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595727390 520676126 /nfs/dbraw/zinc/67/61/26/520676126.db2.gz XZZNUWGUMUJJNQ-LJQANCHMSA-N 2 2 364.497 2.555 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCC(NC(=O)Cc3cn4ccccc4[nH+]3)CC2)c1 ZINC000593352757 520932424 /nfs/dbraw/zinc/93/24/24/520932424.db2.gz ARRFMKIYVRFGAR-UHFFFAOYSA-N 2 2 373.460 2.529 20 30 FFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000602522570 521394989 /nfs/dbraw/zinc/39/49/89/521394989.db2.gz XYVVOSKXFNGBSS-SFHVURJKSA-N 2 2 357.498 2.707 20 30 FFEDLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612157902 521510639 /nfs/dbraw/zinc/51/06/39/521510639.db2.gz FYHPJFBFIVJWRC-XMSQKQJNSA-N 2 2 368.525 2.781 20 30 FFEDLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612157902 521510648 /nfs/dbraw/zinc/51/06/48/521510648.db2.gz FYHPJFBFIVJWRC-XMSQKQJNSA-N 2 2 368.525 2.781 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)ccc1CC#N)C2 ZINC001164815085 720175847 /nfs/dbraw/zinc/17/58/47/720175847.db2.gz IABAGXKWBSCFPW-CTNGQTDRSA-N 2 2 354.498 2.641 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)ccc1CC#N)C2 ZINC001164815085 720175851 /nfs/dbraw/zinc/17/58/51/720175851.db2.gz IABAGXKWBSCFPW-CTNGQTDRSA-N 2 2 354.498 2.641 20 30 FFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000303888905 729735622 /nfs/dbraw/zinc/73/56/22/729735622.db2.gz LQFQDFWCMQQVGD-DLBZAZTESA-N 3 2 351.564 2.520 20 30 FFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000303888905 729735623 /nfs/dbraw/zinc/73/56/23/729735623.db2.gz LQFQDFWCMQQVGD-DLBZAZTESA-N 3 2 351.564 2.520 20 30 FFEDLP C#CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000763950016 736981187 /nfs/dbraw/zinc/98/11/87/736981187.db2.gz PAQPHNCBUJLARF-LJQANCHMSA-N 2 2 359.901 2.691 20 30 FFEDLP C#CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000763950016 736981189 /nfs/dbraw/zinc/98/11/89/736981189.db2.gz PAQPHNCBUJLARF-LJQANCHMSA-N 2 2 359.901 2.691 20 30 FFEDLP Clc1cccc(N2CCCC2)c1C=[NH+]NCCC[NH+]1CCOCC1 ZINC000799488246 740422528 /nfs/dbraw/zinc/42/25/28/740422528.db2.gz DDGNBLQSNZIOCH-UHFFFAOYSA-N 2 2 350.894 2.586 20 30 FFEDLP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)CC1 ZINC000957560996 740545671 /nfs/dbraw/zinc/54/56/71/740545671.db2.gz CJVPMXWSQVPNRP-HZPDHXFCSA-N 2 2 362.905 2.970 20 30 FFEDLP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)CC1 ZINC000957560996 740545675 /nfs/dbraw/zinc/54/56/75/740545675.db2.gz CJVPMXWSQVPNRP-HZPDHXFCSA-N 2 2 362.905 2.970 20 30 FFEDLP C=CCC(F)(F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000815872273 741967599 /nfs/dbraw/zinc/96/75/99/741967599.db2.gz GUDCUVXAPFJNAM-DLBZAZTESA-N 2 2 357.489 2.993 20 30 FFEDLP C=CCC(F)(F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000815872273 741967602 /nfs/dbraw/zinc/96/76/02/741967602.db2.gz GUDCUVXAPFJNAM-DLBZAZTESA-N 2 2 357.489 2.993 20 30 FFEDLP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001104867751 971043755 /nfs/dbraw/zinc/04/37/55/971043755.db2.gz ARLPHDCLTKXECU-QZTJIDSGSA-N 2 2 367.497 2.921 20 30 FFEDLP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969728 971386111 /nfs/dbraw/zinc/38/61/11/971386111.db2.gz KREUTBLYKDOVGU-YSTOQKLRSA-N 2 2 368.525 2.510 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C[C@@H]2C1 ZINC001087969728 971386115 /nfs/dbraw/zinc/38/61/15/971386115.db2.gz KREUTBLYKDOVGU-YSTOQKLRSA-N 2 2 368.525 2.510 20 30 FFEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001270345490 964976594 /nfs/dbraw/zinc/97/65/94/964976594.db2.gz DRRGHZFJZHLGQF-RTBURBONSA-N 2 2 370.541 2.886 20 30 FFEDLP C[NH+]1CCC(CNC(=O)c2ccc3nccnc3c2)([NH+]2CCCCC2)CC1 ZINC000329110101 966990982 /nfs/dbraw/zinc/99/09/82/966990982.db2.gz QFMRZFWFGVEKLA-UHFFFAOYSA-N 2 2 367.497 2.885 20 30 FFEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)NC[C@@H]1CCc2ccccc21 ZINC000262527720 974163404 /nfs/dbraw/zinc/16/34/04/974163404.db2.gz OYZMVRBIBLBPTG-SFHVURJKSA-N 2 2 374.492 2.971 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1ccccc1 ZINC001211715802 977403861 /nfs/dbraw/zinc/40/38/61/977403861.db2.gz POAGFAVLIFOIKU-LEWJYISDSA-N 2 2 366.509 2.903 20 30 FFEDLP C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087459583 977980031 /nfs/dbraw/zinc/98/00/31/977980031.db2.gz MCJCQLZKNOCJQL-UYAOXDASSA-N 2 2 370.472 2.950 20 30 FFEDLP C=C(C)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001087459583 977980034 /nfs/dbraw/zinc/98/00/34/977980034.db2.gz MCJCQLZKNOCJQL-UYAOXDASSA-N 2 2 370.472 2.950 20 30 FFEDLP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001105544175 982394263 /nfs/dbraw/zinc/39/42/63/982394263.db2.gz CKGJAYGDNNSYTE-ZHALLVOQSA-N 2 2 354.498 2.678 20 30 FFEDLP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001105544175 982394270 /nfs/dbraw/zinc/39/42/70/982394270.db2.gz CKGJAYGDNNSYTE-ZHALLVOQSA-N 2 2 354.498 2.678 20 30 FFEDLP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343227 987988644 /nfs/dbraw/zinc/98/86/44/987988644.db2.gz VCCZJOZVABRKNC-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC001106830723 989374491 /nfs/dbraw/zinc/37/44/91/989374491.db2.gz WRNMPQLOPBPWJU-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000879947358 1015715303 /nfs/dbraw/zinc/71/53/03/1015715303.db2.gz FZVQQLCUBOSSRK-HXUWFJFHSA-N 2 2 371.525 2.833 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001109446109 1000481072 /nfs/dbraw/zinc/48/10/72/1000481072.db2.gz LBWIMAMXEPWXPL-WCIQWLHISA-N 2 2 373.928 2.753 20 30 FFEDLP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001109446109 1000481078 /nfs/dbraw/zinc/48/10/78/1000481078.db2.gz LBWIMAMXEPWXPL-WCIQWLHISA-N 2 2 373.928 2.753 20 30 FFEDLP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298387 1001101452 /nfs/dbraw/zinc/10/14/52/1001101452.db2.gz OWTWYRLWLVEGAR-QZTJIDSGSA-N 2 2 356.514 2.804 20 30 FFEDLP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001148298387 1001101455 /nfs/dbraw/zinc/10/14/55/1001101455.db2.gz OWTWYRLWLVEGAR-QZTJIDSGSA-N 2 2 356.514 2.804 20 30 FFEDLP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCc1c[nH+]cn1C)C2 ZINC001112571906 1001504151 /nfs/dbraw/zinc/50/41/51/1001504151.db2.gz UOICGPSCGMDZOK-WFXMLNOXSA-N 2 2 358.530 2.926 20 30 FFEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001095499187 1016511283 /nfs/dbraw/zinc/51/12/83/1016511283.db2.gz TZRUHRPFNZGHBO-CLAROIROSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#Cc1ccccc1 ZINC001095499187 1016511297 /nfs/dbraw/zinc/51/12/97/1016511297.db2.gz TZRUHRPFNZGHBO-CLAROIROSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001095499187 1016511308 /nfs/dbraw/zinc/51/13/08/1016511308.db2.gz TZRUHRPFNZGHBO-CLAROIROSA-N 2 2 365.521 2.634 20 30 FFEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001095499187 1016511321 /nfs/dbraw/zinc/51/13/21/1016511321.db2.gz TZRUHRPFNZGHBO-CLAROIROSA-N 2 2 365.521 2.634 20 30 FFEDLP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001086588736 1002430049 /nfs/dbraw/zinc/43/00/49/1002430049.db2.gz LNICRVRWBZLGOC-VQTJNVASSA-N 2 2 364.493 2.532 20 30 FFEDLP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001086588736 1002430057 /nfs/dbraw/zinc/43/00/57/1002430057.db2.gz LNICRVRWBZLGOC-VQTJNVASSA-N 2 2 364.493 2.532 20 30 FFEDLP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086610082 1003235211 /nfs/dbraw/zinc/23/52/11/1003235211.db2.gz NYBLUCJXJHWTBJ-YSTOQKLRSA-N 2 2 364.493 2.684 20 30 FFEDLP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001086610082 1003235217 /nfs/dbraw/zinc/23/52/17/1003235217.db2.gz NYBLUCJXJHWTBJ-YSTOQKLRSA-N 2 2 364.493 2.684 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001086620003 1003556979 /nfs/dbraw/zinc/55/69/79/1003556979.db2.gz SVGKQDIXNYXEAY-VQTJNVASSA-N 2 2 352.482 2.513 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001086620003 1003556986 /nfs/dbraw/zinc/55/69/86/1003556986.db2.gz SVGKQDIXNYXEAY-VQTJNVASSA-N 2 2 352.482 2.513 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188383597 1006540511 /nfs/dbraw/zinc/54/05/11/1006540511.db2.gz SIGCMFZMVWYFQC-GBESFXJTSA-N 2 2 358.530 2.949 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001188383597 1006540523 /nfs/dbraw/zinc/54/05/23/1006540523.db2.gz SIGCMFZMVWYFQC-GBESFXJTSA-N 2 2 358.530 2.949 20 30 FFEDLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(F)c(C#N)c1 ZINC001110741109 1008320876 /nfs/dbraw/zinc/32/08/76/1008320876.db2.gz RTNYUOUFAODHLH-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(F)c(C#N)c1 ZINC001110741109 1008320878 /nfs/dbraw/zinc/32/08/78/1008320878.db2.gz RTNYUOUFAODHLH-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110741109 1008320882 /nfs/dbraw/zinc/32/08/82/1008320882.db2.gz RTNYUOUFAODHLH-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001110741109 1008320885 /nfs/dbraw/zinc/32/08/85/1008320885.db2.gz RTNYUOUFAODHLH-QRQLOZEOSA-N 2 2 372.488 2.649 20 30 FFEDLP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001178505508 1009007692 /nfs/dbraw/zinc/00/76/92/1009007692.db2.gz BEHUFCWUGFXMEV-RTBURBONSA-N 2 2 358.530 2.996 20 30 FFEDLP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001093379594 1010235780 /nfs/dbraw/zinc/23/57/80/1010235780.db2.gz CZPYNFCMBRTCOK-GGPKGHCWSA-N 2 2 368.525 2.803 20 30 FFEDLP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001093379594 1010235790 /nfs/dbraw/zinc/23/57/90/1010235790.db2.gz CZPYNFCMBRTCOK-GGPKGHCWSA-N 2 2 368.525 2.803 20 30 FFEDLP C=CCCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(Cc1c[nH+]cn1C)C2=O ZINC001276339140 1011928644 /nfs/dbraw/zinc/92/86/44/1011928644.db2.gz OVSKYGYRVBEARA-OAQYLSRUSA-N 2 2 350.466 2.877 20 30 FFEDLP C=CCCC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(Cc1c[nH+]cn1C)C2=O ZINC001276339140 1011928660 /nfs/dbraw/zinc/92/86/60/1011928660.db2.gz OVSKYGYRVBEARA-OAQYLSRUSA-N 2 2 350.466 2.877 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(CC)cc1 ZINC001097249400 1017273115 /nfs/dbraw/zinc/27/31/15/1017273115.db2.gz ZKTVHKNDUDQAJP-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(CC)cc1 ZINC001097249400 1017273124 /nfs/dbraw/zinc/27/31/24/1017273124.db2.gz ZKTVHKNDUDQAJP-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(CC)cc1 ZINC001097249400 1017273128 /nfs/dbraw/zinc/27/31/28/1017273128.db2.gz ZKTVHKNDUDQAJP-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccc(CC)cc1 ZINC001097249400 1017273138 /nfs/dbraw/zinc/27/31/38/1017273138.db2.gz ZKTVHKNDUDQAJP-CZYKHXBRSA-N 2 2 365.521 2.568 20 30 FFEDLP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046975456 1018823470 /nfs/dbraw/zinc/82/34/70/1018823470.db2.gz YEJCZYKPPYBHGF-BZUAXINKSA-N 2 2 366.456 2.563 20 30 FFEDLP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046975456 1018823493 /nfs/dbraw/zinc/82/34/93/1018823493.db2.gz YEJCZYKPPYBHGF-BZUAXINKSA-N 2 2 366.456 2.563 20 30 FFEDLP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000928654231 1019052456 /nfs/dbraw/zinc/05/24/56/1019052456.db2.gz SCOFPUZVSQDNDG-GOSISDBHSA-N 2 2 368.525 2.707 20 30 FFEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000950349852 1023800560 /nfs/dbraw/zinc/80/05/60/1023800560.db2.gz IDVNLAHRHACELX-IEBWSBKVSA-N 2 2 356.514 2.653 20 30 FFEDLP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001095862491 1025114183 /nfs/dbraw/zinc/11/41/83/1025114183.db2.gz NGTJFBRIBHSATO-HKBOAZHASA-N 2 2 365.521 2.634 20 30 FFEDLP CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001095862491 1025114189 /nfs/dbraw/zinc/11/41/89/1025114189.db2.gz NGTJFBRIBHSATO-HKBOAZHASA-N 2 2 365.521 2.634 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098099 1025421342 /nfs/dbraw/zinc/42/13/42/1025421342.db2.gz TVJZKKCKWTWAHN-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC001102098099 1025421349 /nfs/dbraw/zinc/42/13/49/1025421349.db2.gz TVJZKKCKWTWAHN-GUDVDZBRSA-N 2 2 358.530 2.876 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001102996969 1026866482 /nfs/dbraw/zinc/86/64/82/1026866482.db2.gz VNLFMGDBRINLBH-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001102996969 1026866491 /nfs/dbraw/zinc/86/64/91/1026866491.db2.gz VNLFMGDBRINLBH-UAFMIMERSA-N 2 2 370.541 2.804 20 30 FFEDLP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103605547 1027769587 /nfs/dbraw/zinc/76/95/87/1027769587.db2.gz RQPLUTXTGQZLNQ-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001103605547 1027769600 /nfs/dbraw/zinc/76/96/00/1027769600.db2.gz RQPLUTXTGQZLNQ-IAGOWNOFSA-N 2 2 353.470 2.531 20 30 FFEDLP COc1cccc(CC2([NH3+])CCN(c3[nH+]ccc4[nH]cc(C#N)c43)CC2)c1 ZINC001162050324 1028415052 /nfs/dbraw/zinc/41/50/52/1028415052.db2.gz RXJOCLNYMMUWFJ-UHFFFAOYSA-N 2 2 361.449 2.984 20 30 FFEDLP N#Cc1c(Cl)c2ccccc2nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158266585 1029779106 /nfs/dbraw/zinc/77/91/06/1029779106.db2.gz DJUGYFKTVDBOAT-ZDUSSCGKSA-N 2 2 355.873 2.762 20 30 FFEDLP N#Cc1c(Cl)c2ccccc2nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158266585 1029779115 /nfs/dbraw/zinc/77/91/15/1029779115.db2.gz DJUGYFKTVDBOAT-ZDUSSCGKSA-N 2 2 355.873 2.762 20 30 FFEDLP N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158267202 1029780425 /nfs/dbraw/zinc/78/04/25/1029780425.db2.gz QRPUTKOFYUEDAC-ZDUSSCGKSA-N 2 2 373.863 2.901 20 30 FFEDLP N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158267202 1029780431 /nfs/dbraw/zinc/78/04/31/1029780431.db2.gz QRPUTKOFYUEDAC-ZDUSSCGKSA-N 2 2 373.863 2.901 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001112177193 1030152016 /nfs/dbraw/zinc/15/20/16/1030152016.db2.gz WSCBOUHAYPEXON-NWANDNLSSA-N 2 2 358.408 2.533 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112177193 1030152027 /nfs/dbraw/zinc/15/20/27/1030152027.db2.gz WSCBOUHAYPEXON-NWANDNLSSA-N 2 2 358.408 2.533 20 30 FFEDLP N#Cc1ccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)c[nH]c2c1 ZINC001142917151 1031049716 /nfs/dbraw/zinc/04/97/16/1031049716.db2.gz UKHHXRFICGWVCO-RTBURBONSA-N 2 2 357.461 2.998 20 30 FFEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cccc(F)c1 ZINC001205452950 1031758957 /nfs/dbraw/zinc/75/89/57/1031758957.db2.gz ZXMQHSKMGHNQPX-AZUAARDMSA-N 2 2 370.472 2.950 20 30 FFEDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528070 1035148088 /nfs/dbraw/zinc/14/80/88/1035148088.db2.gz MGQQPAHKBFXLHB-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528070 1035148094 /nfs/dbraw/zinc/14/80/94/1035148094.db2.gz MGQQPAHKBFXLHB-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528070 1035148097 /nfs/dbraw/zinc/14/80/97/1035148097.db2.gz MGQQPAHKBFXLHB-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528070 1035148106 /nfs/dbraw/zinc/14/81/06/1035148106.db2.gz MGQQPAHKBFXLHB-CTNGQTDRSA-N 2 2 357.473 2.878 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c[nH]c3cccc(O)c23)CC1 ZINC001140236641 1035394313 /nfs/dbraw/zinc/39/43/13/1035394313.db2.gz KRIMDKUBBMAAKF-UHFFFAOYSA-N 2 2 354.498 2.665 20 30 FFEDLP COC(=O)c1cc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)ccc1F ZINC000835011939 1035487054 /nfs/dbraw/zinc/48/70/54/1035487054.db2.gz OGUVKGBPOBGKAS-UHFFFAOYSA-N 2 2 370.428 2.810 20 30 FFEDLP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001229038167 1036470026 /nfs/dbraw/zinc/47/00/26/1036470026.db2.gz RBFCAXFLVVFHKB-KCPJHIHWSA-N 2 2 369.307 2.514 20 30 FFEDLP CC(C)(C)[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001278973592 1038647214 /nfs/dbraw/zinc/64/72/14/1038647214.db2.gz VXUKFIUBSZUSJU-LMMKCTJWSA-N 2 2 365.481 2.706 20 30 FFEDLP CC(C)(C)[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001278973592 1038647215 /nfs/dbraw/zinc/64/72/15/1038647215.db2.gz VXUKFIUBSZUSJU-LMMKCTJWSA-N 2 2 365.481 2.706 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001209977321 1039317617 /nfs/dbraw/zinc/31/76/17/1039317617.db2.gz HBRBZPBMKAFVDH-GPMSIDNRSA-N 2 2 353.470 2.672 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001209977321 1039317630 /nfs/dbraw/zinc/31/76/30/1039317630.db2.gz HBRBZPBMKAFVDH-GPMSIDNRSA-N 2 2 353.470 2.672 20 30 FFEDLP C=CCOC(=O)CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C(=O)OCC=C ZINC001258903524 1039574152 /nfs/dbraw/zinc/57/41/52/1039574152.db2.gz SMHINAYYSGSXCI-ROUUACIJSA-N 2 2 368.518 2.694 20 30 FFEDLP C=C[C@](C)(O)C[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252550715 1039595160 /nfs/dbraw/zinc/59/51/60/1039595160.db2.gz NYLFMJGJMIACPJ-ZWKOTPCHSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@](C)(O)C[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001252550715 1039595168 /nfs/dbraw/zinc/59/51/68/1039595168.db2.gz NYLFMJGJMIACPJ-ZWKOTPCHSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@](C)(O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001252550715 1039595179 /nfs/dbraw/zinc/59/51/79/1039595179.db2.gz NYLFMJGJMIACPJ-ZWKOTPCHSA-N 2 2 351.441 2.552 20 30 FFEDLP C=C[C@](C)(O)C[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001252550715 1039595185 /nfs/dbraw/zinc/59/51/85/1039595185.db2.gz NYLFMJGJMIACPJ-ZWKOTPCHSA-N 2 2 351.441 2.552 20 30 FFEDLP CCCCCCCCCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252987736 1039895531 /nfs/dbraw/zinc/89/55/31/1039895531.db2.gz WOANWSYQRILVTH-LJQANCHMSA-N 2 2 366.550 2.940 20 30 FFEDLP CCCCCCCCCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252987736 1039895542 /nfs/dbraw/zinc/89/55/42/1039895542.db2.gz WOANWSYQRILVTH-LJQANCHMSA-N 2 2 366.550 2.940 20 30 FFEDLP Cn1cccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278516779 1040794263 /nfs/dbraw/zinc/79/42/63/1040794263.db2.gz OARNQAKHASRDSU-OAQYLSRUSA-N 2 2 351.498 2.723 20 30 FFEDLP Cn1cccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278516779 1040794274 /nfs/dbraw/zinc/79/42/74/1040794274.db2.gz OARNQAKHASRDSU-OAQYLSRUSA-N 2 2 351.498 2.723 20 30 FFEDLP Cn1cccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278516779 1040794292 /nfs/dbraw/zinc/79/42/92/1040794292.db2.gz OARNQAKHASRDSU-OAQYLSRUSA-N 2 2 351.498 2.723 20 30 FFEDLP Cn1cccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001278516779 1040794309 /nfs/dbraw/zinc/79/43/09/1040794309.db2.gz OARNQAKHASRDSU-OAQYLSRUSA-N 2 2 351.498 2.723 20 30 FFEDLP Cc1cc(-c2noc(-c3c[nH+]ccc3N3CC[NH+](C)CC3)n2)ccc1C#N ZINC001214674055 1041529176 /nfs/dbraw/zinc/52/91/76/1041529176.db2.gz OFAJOLZLNTWXIC-UHFFFAOYSA-N 2 2 360.421 2.731 20 30 FFEDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)c(OC)c1)C2 ZINC001238407384 1043691460 /nfs/dbraw/zinc/69/14/60/1043691460.db2.gz WSVUYHPRIPIZRS-UNMCSNQZSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C#N)c(OC)c1)C2 ZINC001238407384 1043691469 /nfs/dbraw/zinc/69/14/69/1043691469.db2.gz WSVUYHPRIPIZRS-UNMCSNQZSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC001238407384 1043691477 /nfs/dbraw/zinc/69/14/77/1043691477.db2.gz WSVUYHPRIPIZRS-UNMCSNQZSA-N 2 2 369.509 2.747 20 30 FFEDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC001238407384 1043691481 /nfs/dbraw/zinc/69/14/81/1043691481.db2.gz WSVUYHPRIPIZRS-UNMCSNQZSA-N 2 2 369.509 2.747 20 30 FFEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(C#N)cc2)[nH+]1 ZINC001319489927 1045170697 /nfs/dbraw/zinc/17/06/97/1045170697.db2.gz MREDOOBXYZHOOG-OALUTQOASA-N 2 2 366.465 2.578 20 30 FFEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)[nH+]1 ZINC001319489927 1045170709 /nfs/dbraw/zinc/17/07/09/1045170709.db2.gz MREDOOBXYZHOOG-OALUTQOASA-N 2 2 366.465 2.578 20 30 FFEDLP COc1ccc(CCN[NH+]=Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001321984123 1045902954 /nfs/dbraw/zinc/90/29/54/1045902954.db2.gz ONBYIAZCBJVQLU-UHFFFAOYSA-N 2 2 370.472 2.752 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001340390706 1050784598 /nfs/dbraw/zinc/78/45/98/1050784598.db2.gz RWMYLYAPNUJUCZ-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001340390706 1050784613 /nfs/dbraw/zinc/78/46/13/1050784613.db2.gz RWMYLYAPNUJUCZ-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001340390706 1050784626 /nfs/dbraw/zinc/78/46/26/1050784626.db2.gz RWMYLYAPNUJUCZ-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](C[NH+](C)CCC)C1 ZINC001340390706 1050784644 /nfs/dbraw/zinc/78/46/44/1050784644.db2.gz RWMYLYAPNUJUCZ-MSOLQXFVSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342977293 1051592254 /nfs/dbraw/zinc/59/22/54/1051592254.db2.gz DLYKSGYHAMFWBB-SFHVURJKSA-N 2 2 360.550 2.978 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342977293 1051592264 /nfs/dbraw/zinc/59/22/64/1051592264.db2.gz DLYKSGYHAMFWBB-SFHVURJKSA-N 2 2 360.550 2.978 20 30 FFEDLP CN(C)c1nc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC001308254734 1052437473 /nfs/dbraw/zinc/43/74/73/1052437473.db2.gz KFXBJGWROMLWHP-UHFFFAOYSA-N 2 2 369.538 2.877 20 30 FFEDLP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(C#N)c2)Cc2ccccc2C1 ZINC001345632028 1052548096 /nfs/dbraw/zinc/54/80/96/1052548096.db2.gz DVRMSZFJGGQRFS-UHFFFAOYSA-N 2 2 362.477 2.576 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001337157286 1054521413 /nfs/dbraw/zinc/52/14/13/1054521413.db2.gz MBNSGAYQAGFXNW-DYESRHJHSA-N 2 2 350.466 2.984 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC001337157286 1054521426 /nfs/dbraw/zinc/52/14/26/1054521426.db2.gz MBNSGAYQAGFXNW-DYESRHJHSA-N 2 2 350.466 2.984 20 30 FFEDLP N#Cc1ccc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC001339168320 1056161062 /nfs/dbraw/zinc/16/10/62/1056161062.db2.gz CIQYOSMEJAHCNO-QGZVFWFLSA-N 2 2 356.451 2.519 20 30 FFEDLP N#Cc1ccc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC001339168320 1056161069 /nfs/dbraw/zinc/16/10/69/1056161069.db2.gz CIQYOSMEJAHCNO-QGZVFWFLSA-N 2 2 356.451 2.519 20 30 FFEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200730505 1059272952 /nfs/dbraw/zinc/27/29/52/1059272952.db2.gz UTXCOBHMYQZXBB-RCCFBDPRSA-N 2 2 362.518 2.691 20 30 FFEDLP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200730505 1059272962 /nfs/dbraw/zinc/27/29/62/1059272962.db2.gz UTXCOBHMYQZXBB-RCCFBDPRSA-N 2 2 362.518 2.691 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CC[NH2+]CC2)O1 ZINC001576809435 1078277238 /nfs/dbraw/zinc/27/72/38/1078277238.db2.gz XYRZZKOFOUZJBD-ZDUSSCGKSA-N 2 2 351.397 2.503 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC2(CC[NH2+]CC2)O1 ZINC001576809435 1078277239 /nfs/dbraw/zinc/27/72/39/1078277239.db2.gz XYRZZKOFOUZJBD-ZDUSSCGKSA-N 2 2 351.397 2.503 20 30 FFEDLP N#Cc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)cc1 ZINC001568001295 1077066038 /nfs/dbraw/zinc/06/60/38/1077066038.db2.gz YUAFUGXAHQRJHZ-QZTJIDSGSA-N 2 2 363.465 2.604 20 30 FFEDLP N#Cc1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)cc1 ZINC001568001295 1077066041 /nfs/dbraw/zinc/06/60/41/1077066041.db2.gz YUAFUGXAHQRJHZ-QZTJIDSGSA-N 2 2 363.465 2.604 20 30 FFEDLP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000279056378 256376841 /nfs/dbraw/zinc/37/68/41/256376841.db2.gz KLBDVJHYPPXIDD-UHFFFAOYSA-N 2 2 363.465 2.666 20 30 FFEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1C#N ZINC000366899898 512239678 /nfs/dbraw/zinc/23/96/78/512239678.db2.gz IWAZMOSMSUCPCI-OXQOHEQNSA-N 2 2 350.466 2.962 20 30 FFEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1C#N ZINC000366899898 512239682 /nfs/dbraw/zinc/23/96/82/512239682.db2.gz IWAZMOSMSUCPCI-OXQOHEQNSA-N 2 2 350.466 2.962 20 30 FFEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056016064 506912474 /nfs/dbraw/zinc/91/24/74/506912474.db2.gz SBWMSJZDRVHBAY-UHFFFAOYSA-N 2 2 373.460 2.948 20 30 FFEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072858070 507864955 /nfs/dbraw/zinc/86/49/55/507864955.db2.gz MIDDOXPHRNDWRK-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072858070 507864957 /nfs/dbraw/zinc/86/49/57/507864957.db2.gz MIDDOXPHRNDWRK-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072858070 507864958 /nfs/dbraw/zinc/86/49/58/507864958.db2.gz MIDDOXPHRNDWRK-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072858070 507864961 /nfs/dbraw/zinc/86/49/61/507864961.db2.gz MIDDOXPHRNDWRK-LJQANCHMSA-N 2 2 356.514 2.824 20 30 FFEDLP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(OC)c1 ZINC000109796876 507987805 /nfs/dbraw/zinc/98/78/05/507987805.db2.gz KHRBLFTUQWCCTP-LJQANCHMSA-N 2 2 371.481 2.697 20 30 FFEDLP C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369370335 512376401 /nfs/dbraw/zinc/37/64/01/512376401.db2.gz OFAVSBNRDTYSAY-HXUWFJFHSA-N 2 2 370.541 2.595 20 30 FFEDLP C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369370335 512376405 /nfs/dbraw/zinc/37/64/05/512376405.db2.gz OFAVSBNRDTYSAY-HXUWFJFHSA-N 2 2 370.541 2.595 20 30 FFEDLP C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372543 512377035 /nfs/dbraw/zinc/37/70/35/512377035.db2.gz JVBHINWBXCGVIB-SFHVURJKSA-N 2 2 374.504 2.692 20 30 FFEDLP C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372543 512377036 /nfs/dbraw/zinc/37/70/36/512377036.db2.gz JVBHINWBXCGVIB-SFHVURJKSA-N 2 2 374.504 2.692 20 30 FFEDLP C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372542 512377505 /nfs/dbraw/zinc/37/75/05/512377505.db2.gz JVBHINWBXCGVIB-GOSISDBHSA-N 2 2 374.504 2.692 20 30 FFEDLP C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372542 512377509 /nfs/dbraw/zinc/37/75/09/512377509.db2.gz JVBHINWBXCGVIB-GOSISDBHSA-N 2 2 374.504 2.692 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000150759042 508886899 /nfs/dbraw/zinc/88/68/99/508886899.db2.gz QLDUJXIYFBLWTK-FQEVSTJZSA-N 2 2 368.525 2.968 20 30 FFEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000150759042 508886904 /nfs/dbraw/zinc/88/69/04/508886904.db2.gz QLDUJXIYFBLWTK-FQEVSTJZSA-N 2 2 368.525 2.968 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150762160 508887483 /nfs/dbraw/zinc/88/74/83/508887483.db2.gz GXCYXWUQWSRXRP-ZWKOTPCHSA-N 2 2 372.488 2.879 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150762160 508887486 /nfs/dbraw/zinc/88/74/86/508887486.db2.gz GXCYXWUQWSRXRP-ZWKOTPCHSA-N 2 2 372.488 2.879 20 30 FFEDLP CC[NH+]=C(NCc1ncc(CC)s1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160104772 508938935 /nfs/dbraw/zinc/93/89/35/508938935.db2.gz RNIARVQXMYYECZ-GDBMZVCRSA-N 2 2 360.531 2.951 20 30 FFEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000371494688 512432873 /nfs/dbraw/zinc/43/28/73/512432873.db2.gz GOEVHTMYDBYSCB-OAQYLSRUSA-N 2 2 368.525 2.618 20 30 FFEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000371494688 512432877 /nfs/dbraw/zinc/43/28/77/512432877.db2.gz GOEVHTMYDBYSCB-OAQYLSRUSA-N 2 2 368.525 2.618 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161386544 509109904 /nfs/dbraw/zinc/10/99/04/509109904.db2.gz FVTPFKABERIZLT-AWEZNQCLSA-N 2 2 369.856 2.756 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182816028 509440808 /nfs/dbraw/zinc/44/08/08/509440808.db2.gz TVXGOMPIZRRAQH-AZUAARDMSA-N 2 2 354.498 2.717 20 30 FFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182816028 509440816 /nfs/dbraw/zinc/44/08/16/509440816.db2.gz TVXGOMPIZRRAQH-AZUAARDMSA-N 2 2 354.498 2.717 20 30 FFEDLP C=CC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000248728435 509455541 /nfs/dbraw/zinc/45/55/41/509455541.db2.gz NRWKMXFGWQZIMY-PMACEKPBSA-N 2 2 363.933 2.952 20 30 FFEDLP C=CC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000248728435 509455543 /nfs/dbraw/zinc/45/55/43/509455543.db2.gz NRWKMXFGWQZIMY-PMACEKPBSA-N 2 2 363.933 2.952 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000264348659 509472283 /nfs/dbraw/zinc/47/22/83/509472283.db2.gz CIRMZVSLKBSLKA-UHFFFAOYSA-N 2 2 367.497 2.771 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCc2[nH+]ccn2CCC)CC1 ZINC000192385989 509497216 /nfs/dbraw/zinc/49/72/16/509497216.db2.gz HBEKNJBNEGPQHD-UHFFFAOYSA-N 2 2 361.534 2.908 20 30 FFEDLP N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000177046010 509836748 /nfs/dbraw/zinc/83/67/48/509836748.db2.gz KHDZZXYECUVWRA-QGZVFWFLSA-N 2 2 358.511 2.533 20 30 FFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180553524 509980948 /nfs/dbraw/zinc/98/09/48/509980948.db2.gz NPZXAQZOGNWJEE-UTKZUKDTSA-N 2 2 350.466 2.984 20 30 FFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180553524 509980954 /nfs/dbraw/zinc/98/09/54/509980954.db2.gz NPZXAQZOGNWJEE-UTKZUKDTSA-N 2 2 350.466 2.984 20 30 FFEDLP CC[NH+]=C(NCCc1c(C)noc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261985137 510137919 /nfs/dbraw/zinc/13/79/19/510137919.db2.gz PWFYSOSFOUFKQL-KBXCAEBGSA-N 2 2 358.490 2.579 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOC[C@@H]3CCOC3)CC2)cc1 ZINC000181793102 510594557 /nfs/dbraw/zinc/59/45/57/510594557.db2.gz KYKIROLQRXXXAJ-FQEVSTJZSA-N 2 2 357.498 2.555 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246743217 510648261 /nfs/dbraw/zinc/64/82/61/510648261.db2.gz HAFORMUCEGLHEL-WBVHZDCISA-N 2 2 351.454 2.573 20 30 FFEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246743217 510648265 /nfs/dbraw/zinc/64/82/65/510648265.db2.gz HAFORMUCEGLHEL-WBVHZDCISA-N 2 2 351.454 2.573 20 30 FFEDLP COc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000188303876 510698864 /nfs/dbraw/zinc/69/88/64/510698864.db2.gz VVBAPPLVPWROCY-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1C#N ZINC000188303876 510698870 /nfs/dbraw/zinc/69/88/70/510698870.db2.gz VVBAPPLVPWROCY-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000188303876 510698875 /nfs/dbraw/zinc/69/88/75/510698875.db2.gz VVBAPPLVPWROCY-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP COc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000188303876 510698879 /nfs/dbraw/zinc/69/88/79/510698879.db2.gz VVBAPPLVPWROCY-QFIPXVFZSA-N 2 2 365.477 2.636 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266751147 510764485 /nfs/dbraw/zinc/76/44/85/510764485.db2.gz NWTJYPQZLMYDTJ-INIZCTEOSA-N 2 2 351.454 2.924 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(CC(=O)OC(C)C)c2C)CC1 ZINC000182187975 510803947 /nfs/dbraw/zinc/80/39/47/510803947.db2.gz KNRROBFVVKQNLF-UHFFFAOYSA-N 2 2 362.518 2.582 20 30 FFEDLP C[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329952584 510885278 /nfs/dbraw/zinc/88/52/78/510885278.db2.gz MVMJPLLZLYJCHS-ULQDDVLXSA-N 2 2 359.518 2.602 20 30 FFEDLP C[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329952584 510885279 /nfs/dbraw/zinc/88/52/79/510885279.db2.gz MVMJPLLZLYJCHS-ULQDDVLXSA-N 2 2 359.518 2.602 20 30 FFEDLP C[C@H]([NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329952584 510885282 /nfs/dbraw/zinc/88/52/82/510885282.db2.gz MVMJPLLZLYJCHS-ULQDDVLXSA-N 2 2 359.518 2.602 20 30 FFEDLP C[C@H]([NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329952584 510885285 /nfs/dbraw/zinc/88/52/85/510885285.db2.gz MVMJPLLZLYJCHS-ULQDDVLXSA-N 2 2 359.518 2.602 20 30 FFEDLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330256967 510949886 /nfs/dbraw/zinc/94/98/86/510949886.db2.gz LCBJJNGKDVXDIT-BZUAXINKSA-N 2 2 370.453 2.774 20 30 FFEDLP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330256967 510949893 /nfs/dbraw/zinc/94/98/93/510949893.db2.gz LCBJJNGKDVXDIT-BZUAXINKSA-N 2 2 370.453 2.774 20 30 FFEDLP COc1cc2c(cc1OC)CC[NH+](Cc1c[nH+]c3ccc(C#N)cn13)CC2 ZINC000362388708 511185791 /nfs/dbraw/zinc/18/57/91/511185791.db2.gz IDUZBCJEAUHSIX-UHFFFAOYSA-N 2 2 362.433 2.824 20 30 FFEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@]12CCCO2 ZINC000274192761 511749828 /nfs/dbraw/zinc/74/98/28/511749828.db2.gz KHJWEGVKNOHNAT-VSKRKVRLSA-N 2 2 369.509 2.839 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000328638372 511902825 /nfs/dbraw/zinc/90/28/25/511902825.db2.gz BKWAJPRBDZHIEE-OALUTQOASA-N 2 2 367.497 2.847 20 30 FFEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000328638372 511902831 /nfs/dbraw/zinc/90/28/31/511902831.db2.gz BKWAJPRBDZHIEE-OALUTQOASA-N 2 2 367.497 2.847 20 30 FFEDLP O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000328827993 511936988 /nfs/dbraw/zinc/93/69/88/511936988.db2.gz SVMDUCRDNFHYTN-RTBURBONSA-N 2 2 361.461 2.517 20 30 FFEDLP O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000328827993 511936995 /nfs/dbraw/zinc/93/69/95/511936995.db2.gz SVMDUCRDNFHYTN-RTBURBONSA-N 2 2 361.461 2.517 20 30 FFEDLP CC[N@@H+]1CCCN(C(=O)Nc2nc(C[NH+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000328847170 511940272 /nfs/dbraw/zinc/94/02/72/511940272.db2.gz QTOBNCHKPLXDLH-OAHLLOKOSA-N 2 2 365.547 2.948 20 30 FFEDLP CC[NH+]1CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000328847170 511940281 /nfs/dbraw/zinc/94/02/81/511940281.db2.gz QTOBNCHKPLXDLH-OAHLLOKOSA-N 2 2 365.547 2.948 20 30 FFEDLP CC[NH+]1CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000328847170 511940285 /nfs/dbraw/zinc/94/02/85/511940285.db2.gz QTOBNCHKPLXDLH-OAHLLOKOSA-N 2 2 365.547 2.948 20 30 FFEDLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000328857642 511941093 /nfs/dbraw/zinc/94/10/93/511941093.db2.gz UNQQZFYIVNKXLH-MRXNPFEDSA-N 2 2 363.531 2.845 20 30 FFEDLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000328857642 511941100 /nfs/dbraw/zinc/94/11/00/511941100.db2.gz UNQQZFYIVNKXLH-MRXNPFEDSA-N 2 2 363.531 2.845 20 30 FFEDLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000329268234 512017045 /nfs/dbraw/zinc/01/70/45/512017045.db2.gz DQAUZKQZFLSDCB-UHFFFAOYSA-N 2 2 357.502 2.717 20 30 FFEDLP Cc1[nH+]c2ccccc2n1CCC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000329268234 512017051 /nfs/dbraw/zinc/01/70/51/512017051.db2.gz DQAUZKQZFLSDCB-UHFFFAOYSA-N 2 2 357.502 2.717 20 30 FFEDLP N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281948307 512021772 /nfs/dbraw/zinc/02/17/72/512021772.db2.gz FKCSQKMNAIOSOA-HNNXBMFYSA-N 2 2 369.494 2.971 20 30 FFEDLP N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281948307 512021778 /nfs/dbraw/zinc/02/17/78/512021778.db2.gz FKCSQKMNAIOSOA-HNNXBMFYSA-N 2 2 369.494 2.971 20 30 FFEDLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000329586679 512073663 /nfs/dbraw/zinc/07/36/63/512073663.db2.gz YLWWCENEOFGVRK-CZUORRHYSA-N 2 2 361.877 2.818 20 30 FFEDLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000329586679 512073670 /nfs/dbraw/zinc/07/36/70/512073670.db2.gz YLWWCENEOFGVRK-CZUORRHYSA-N 2 2 361.877 2.818 20 30 FFEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC000329787618 512097835 /nfs/dbraw/zinc/09/78/35/512097835.db2.gz RHBCPVQKGUIIHV-KRWDZBQOSA-N 2 2 360.502 2.746 20 30 FFEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C(C)C ZINC000433940732 513192690 /nfs/dbraw/zinc/19/26/90/513192690.db2.gz MIKHBEQFLCJTIV-UXHICEINSA-N 2 2 372.513 2.943 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540451 513818488 /nfs/dbraw/zinc/81/84/88/513818488.db2.gz WWEACOMQLHZQEJ-GHTZIAJQSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540451 513818495 /nfs/dbraw/zinc/81/84/95/513818495.db2.gz WWEACOMQLHZQEJ-GHTZIAJQSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540451 513818500 /nfs/dbraw/zinc/81/85/00/513818500.db2.gz WWEACOMQLHZQEJ-GHTZIAJQSA-N 2 2 368.525 2.885 20 30 FFEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccc(C#N)cc3)C2)CC1 ZINC000451540451 513818508 /nfs/dbraw/zinc/81/85/08/513818508.db2.gz WWEACOMQLHZQEJ-GHTZIAJQSA-N 2 2 368.525 2.885 20 30 FFEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(C)c(C#N)cc3Cl)CC2)CC1 ZINC000420628024 514206233 /nfs/dbraw/zinc/20/62/33/514206233.db2.gz OSLPSPXPGSNMQO-UHFFFAOYSA-N 2 2 361.921 2.912 20 30 FFEDLP CC[NH+]1CCC([N@H+]2CCCN(c3nc(C)c(C#N)cc3Cl)CC2)CC1 ZINC000420628024 514206242 /nfs/dbraw/zinc/20/62/42/514206242.db2.gz OSLPSPXPGSNMQO-UHFFFAOYSA-N 2 2 361.921 2.912 20 30 FFEDLP CC1=CC[N@H+](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433325472 514458654 /nfs/dbraw/zinc/45/86/54/514458654.db2.gz IZVAPTVFLYZVQN-UHFFFAOYSA-N 2 2 350.470 2.600 20 30 FFEDLP CC1=CC[N@@H+](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433325472 514458661 /nfs/dbraw/zinc/45/86/61/514458661.db2.gz IZVAPTVFLYZVQN-UHFFFAOYSA-N 2 2 350.470 2.600 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470979703 514705854 /nfs/dbraw/zinc/70/58/54/514705854.db2.gz NRTUEXLAJQBJJJ-ICSRJNTNSA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470979703 514705867 /nfs/dbraw/zinc/70/58/67/514705867.db2.gz NRTUEXLAJQBJJJ-ICSRJNTNSA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470979703 514705876 /nfs/dbraw/zinc/70/58/76/514705876.db2.gz NRTUEXLAJQBJJJ-ICSRJNTNSA-N 2 2 368.525 2.985 20 30 FFEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470979703 514705888 /nfs/dbraw/zinc/70/58/88/514705888.db2.gz NRTUEXLAJQBJJJ-ICSRJNTNSA-N 2 2 368.525 2.985 20 30 FFEDLP C=CCn1c(C(C)C)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000508490706 514797537 /nfs/dbraw/zinc/79/75/37/514797537.db2.gz QTUFFKBESCMJMK-UHFFFAOYSA-N 2 2 360.550 2.582 20 30 FFEDLP C=C[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000489449956 514851177 /nfs/dbraw/zinc/85/11/77/514851177.db2.gz VMLQZJOYCDIHEM-HXUWFJFHSA-N 2 2 371.525 2.770 20 30 FFEDLP C=C[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000489449956 514851189 /nfs/dbraw/zinc/85/11/89/514851189.db2.gz VMLQZJOYCDIHEM-HXUWFJFHSA-N 2 2 371.525 2.770 20 30 FFEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000489449956 514851196 /nfs/dbraw/zinc/85/11/96/514851196.db2.gz VMLQZJOYCDIHEM-HXUWFJFHSA-N 2 2 371.525 2.770 20 30 FFEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000489449956 514851208 /nfs/dbraw/zinc/85/12/08/514851208.db2.gz VMLQZJOYCDIHEM-HXUWFJFHSA-N 2 2 371.525 2.770 20 30 FFEDLP C[NH+](CC#CC[N@H+](C)CC[C@H]1CCCC[NH+]1C)CC[C@H]1CCCC[NH+]1C ZINC000472604193 515334219 /nfs/dbraw/zinc/33/42/19/515334219.db2.gz OCWJZXWJXZNVMX-FGZHOGPDSA-N 4 2 362.606 2.602 20 30 FFEDLP C[NH+](CC#CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C)CC[C@H]1CCCC[NH+]1C ZINC000472604193 515334224 /nfs/dbraw/zinc/33/42/24/515334224.db2.gz OCWJZXWJXZNVMX-FGZHOGPDSA-N 4 2 362.606 2.602 20 30 FFEDLP C[NH+](CC#CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C)CC[C@H]1CCCC[NH+]1C ZINC000472604193 515334228 /nfs/dbraw/zinc/33/42/28/515334228.db2.gz OCWJZXWJXZNVMX-FGZHOGPDSA-N 4 2 362.606 2.602 20 30 FFEDLP C[NH+](CC#CC[NH+](C)CC[C@H]1CCCC[N@H+]1C)CC[C@H]1CCCC[NH+]1C ZINC000472604193 515334232 /nfs/dbraw/zinc/33/42/32/515334232.db2.gz OCWJZXWJXZNVMX-FGZHOGPDSA-N 4 2 362.606 2.602 20 30 FFEDLP CN(CC#CC[NH+](C)CC[C@H]1CCCC[NH+]1C)CC[C@H]1CCCC[N@@H+]1C ZINC000472604193 515334237 /nfs/dbraw/zinc/33/42/37/515334237.db2.gz OCWJZXWJXZNVMX-FGZHOGPDSA-N 3 2 362.606 2.602 20 30 FFEDLP CN(CC#CC[NH+](C)CC[C@H]1CCCC[NH+]1C)CC[C@H]1CCCC[N@H+]1C ZINC000472604193 515334241 /nfs/dbraw/zinc/33/42/41/515334241.db2.gz OCWJZXWJXZNVMX-FGZHOGPDSA-N 3 2 362.606 2.602 20 30 FFEDLP CN(CC#CC[N@H+](C)CC[C@H]1CCCC[NH+]1C)CC[C@H]1CCCC[NH+]1C ZINC000472604193 515334244 /nfs/dbraw/zinc/33/42/44/515334244.db2.gz OCWJZXWJXZNVMX-FGZHOGPDSA-N 3 2 362.606 2.602 20 30 FFEDLP CN(CC#CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C)CC[C@H]1CCCC[NH+]1C ZINC000472604193 515334249 /nfs/dbraw/zinc/33/42/49/515334249.db2.gz OCWJZXWJXZNVMX-FGZHOGPDSA-N 3 2 362.606 2.602 20 30 FFEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000506030338 515755125 /nfs/dbraw/zinc/75/51/25/515755125.db2.gz GRVVXLFAHHBCOY-UHFFFAOYSA-N 2 2 368.525 2.701 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837852 515981564 /nfs/dbraw/zinc/98/15/64/515981564.db2.gz VIIBROMOKKKAER-UZKOGDIHSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464837852 515981576 /nfs/dbraw/zinc/98/15/76/515981576.db2.gz VIIBROMOKKKAER-UZKOGDIHSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464837852 515981584 /nfs/dbraw/zinc/98/15/84/515981584.db2.gz VIIBROMOKKKAER-UZKOGDIHSA-N 2 2 370.541 2.883 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464837852 515981594 /nfs/dbraw/zinc/98/15/94/515981594.db2.gz VIIBROMOKKKAER-UZKOGDIHSA-N 2 2 370.541 2.883 20 30 FFEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(C#N)cc1 ZINC000549162753 517430958 /nfs/dbraw/zinc/43/09/58/517430958.db2.gz UCMQPILKJWEDBV-MRXNPFEDSA-N 2 2 368.506 2.615 20 30 FFEDLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccccc2)CC1 ZINC000533446849 517468499 /nfs/dbraw/zinc/46/84/99/517468499.db2.gz NMBVATYJZZEIKR-NRFANRHFSA-N 2 2 352.457 2.776 20 30 FFEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(C#N)cs1 ZINC000517262880 518096894 /nfs/dbraw/zinc/09/68/94/518096894.db2.gz KSZXTJIPSIKGGB-UHFFFAOYSA-N 2 2 354.523 2.869 20 30 FFEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(C#N)cs1 ZINC000517262880 518096904 /nfs/dbraw/zinc/09/69/04/518096904.db2.gz KSZXTJIPSIKGGB-UHFFFAOYSA-N 2 2 354.523 2.869 20 30 FFEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000577054900 518892831 /nfs/dbraw/zinc/89/28/31/518892831.db2.gz GOYOFEROMINFLL-GOSISDBHSA-N 2 2 353.470 2.643 20 30 FFEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000580889003 519410132 /nfs/dbraw/zinc/41/01/32/519410132.db2.gz UMXCXOIVFMLFBD-LJQANCHMSA-N 2 2 351.450 2.635 20 30 FFEDLP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Nc4cccc[nH+]4)CC3)C2=O)cc1 ZINC000591021694 519481316 /nfs/dbraw/zinc/48/13/16/519481316.db2.gz CFWXHGQEGKWGMN-LJQANCHMSA-N 2 2 361.449 2.635 20 30 FFEDLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)C[C@@H](C)O1 ZINC000569513921 519587567 /nfs/dbraw/zinc/58/75/67/519587567.db2.gz QORLNWCWMVDFHT-HUUCEWRRSA-N 2 2 356.495 2.914 20 30 FFEDLP CCc1ccc([C@@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)[NH+](C)C)cc1 ZINC000600713528 520414667 /nfs/dbraw/zinc/41/46/67/520414667.db2.gz BNKLHTSQKUAOHF-WOJBJXKFSA-N 2 2 359.514 2.513 20 30 FFEDLP N#Cc1cnn2cc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cnc12 ZINC000592510062 520429137 /nfs/dbraw/zinc/42/91/37/520429137.db2.gz PLIFLZGFEHJBMF-INIZCTEOSA-N 2 2 361.453 2.513 20 30 FFEDLP N#Cc1cnn2cc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cnc12 ZINC000592510062 520429143 /nfs/dbraw/zinc/42/91/43/520429143.db2.gz PLIFLZGFEHJBMF-INIZCTEOSA-N 2 2 361.453 2.513 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595550912 520546461 /nfs/dbraw/zinc/54/64/61/520546461.db2.gz FAUNZRYFQNMKNE-OAQYLSRUSA-N 2 2 367.497 2.872 20 30 FFEDLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598615667 520744344 /nfs/dbraw/zinc/74/43/44/520744344.db2.gz QXDHIHOVCDEZJZ-HZPDHXFCSA-N 2 2 362.543 2.730 20 30 FFEDLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598615667 520744351 /nfs/dbraw/zinc/74/43/51/520744351.db2.gz QXDHIHOVCDEZJZ-HZPDHXFCSA-N 2 2 362.543 2.730 20 30 FFEDLP N#Cc1c(F)cccc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000602007041 521075810 /nfs/dbraw/zinc/07/58/10/521075810.db2.gz LZHYWDXTNTTXPG-UHFFFAOYSA-N 2 2 369.440 2.698 20 30 FFEDLP COC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCOCC1 ZINC000593720575 521175090 /nfs/dbraw/zinc/17/50/90/521175090.db2.gz HUWRBSDLCAPBFR-OAQYLSRUSA-N 2 2 357.498 2.554 20 30 FFEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619056323 521374869 /nfs/dbraw/zinc/37/48/69/521374869.db2.gz VEKRUWZRVNQFTF-HRAATJIYSA-N 2 2 371.529 2.842 20 30 FFEDLP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000170906301 728991707 /nfs/dbraw/zinc/99/17/07/728991707.db2.gz AEXCPVSTYDLLRN-AWEZNQCLSA-N 2 2 358.511 2.608 20 30 FFEDLP COc1ccccc1CNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000170906301 728991711 /nfs/dbraw/zinc/99/17/11/728991711.db2.gz AEXCPVSTYDLLRN-AWEZNQCLSA-N 2 2 358.511 2.608 20 30 FFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CC1 ZINC000877009548 732310822 /nfs/dbraw/zinc/31/08/22/732310822.db2.gz QSQZXFGSLCBAAA-UHFFFAOYSA-N 2 2 367.287 2.976 20 30 FFEDLP C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998126270 742034084 /nfs/dbraw/zinc/03/40/84/742034084.db2.gz NHPSESCYWIPFAU-BRWVUGGUSA-N 2 2 364.921 2.979 20 30 FFEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000998126270 742034086 /nfs/dbraw/zinc/03/40/86/742034086.db2.gz NHPSESCYWIPFAU-BRWVUGGUSA-N 2 2 364.921 2.979 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1CC ZINC001087783624 969062902 /nfs/dbraw/zinc/06/29/02/969062902.db2.gz LSJXAUFWDOGQQA-PKOBYXMFSA-N 2 2 353.470 2.816 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1CC ZINC001087783624 969062913 /nfs/dbraw/zinc/06/29/13/969062913.db2.gz LSJXAUFWDOGQQA-PKOBYXMFSA-N 2 2 353.470 2.816 20 30 FFEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1CC ZINC001087794034 969115994 /nfs/dbraw/zinc/11/59/94/969115994.db2.gz PXYGEVUUNAEJDI-PKOBYXMFSA-N 2 2 353.470 2.816 20 30 FFEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@H]1CC ZINC001087794034 969115996 /nfs/dbraw/zinc/11/59/96/969115996.db2.gz PXYGEVUUNAEJDI-PKOBYXMFSA-N 2 2 353.470 2.816 20 30 FFEDLP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262478014 973472220 /nfs/dbraw/zinc/47/22/20/973472220.db2.gz QQBKDJJYNYSPMM-RBUKOAKNSA-N 3 2 373.545 2.552 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001088770455 976074086 /nfs/dbraw/zinc/07/40/86/976074086.db2.gz PKEJGDVYCNQKBN-TYCQWZJGSA-N 2 2 366.509 2.512 20 30 FFEDLP C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001088770455 976074097 /nfs/dbraw/zinc/07/40/97/976074097.db2.gz PKEJGDVYCNQKBN-TYCQWZJGSA-N 2 2 366.509 2.512 20 30 FFEDLP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000981181442 976294646 /nfs/dbraw/zinc/29/46/46/976294646.db2.gz FRFQITQPHHDZIE-RTBURBONSA-N 2 2 356.514 2.654 20 30 FFEDLP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000981181442 976294656 /nfs/dbraw/zinc/29/46/56/976294656.db2.gz FRFQITQPHHDZIE-RTBURBONSA-N 2 2 356.514 2.654 20 30 FFEDLP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000877295644 1014539809 /nfs/dbraw/zinc/53/98/09/1014539809.db2.gz TWTCSOGRZOIASG-OALUTQOASA-N 2 2 360.477 2.832 20 30 FFEDLP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968860888 1014590730 /nfs/dbraw/zinc/59/07/30/1014590730.db2.gz BMSRLURBOMDXRG-VAMGGRTRSA-N 2 2 368.525 2.538 20 30 FFEDLP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000968860888 1014590738 /nfs/dbraw/zinc/59/07/38/1014590738.db2.gz BMSRLURBOMDXRG-VAMGGRTRSA-N 2 2 368.525 2.538 20 30 FFEDLP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001105427019 979687493 /nfs/dbraw/zinc/68/74/93/979687493.db2.gz AAYSJVHHBIPISY-YXTQBTIXSA-N 2 2 364.493 2.896 20 30 FFEDLP C=CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001105427019 979687499 /nfs/dbraw/zinc/68/74/99/979687499.db2.gz AAYSJVHHBIPISY-YXTQBTIXSA-N 2 2 364.493 2.896 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000907304743 981227414 /nfs/dbraw/zinc/22/74/14/981227414.db2.gz FPHPBYXQFZXSLH-SJLPKXTDSA-N 2 2 369.431 2.863 20 30 FFEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000907304743 981227419 /nfs/dbraw/zinc/22/74/19/981227419.db2.gz FPHPBYXQFZXSLH-SJLPKXTDSA-N 2 2 369.431 2.863 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001088631076 982045706 /nfs/dbraw/zinc/04/57/06/982045706.db2.gz PPJOGTYDSJOSTD-COPCDDAFSA-N 2 2 367.537 2.987 20 30 FFEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001088631076 982045719 /nfs/dbraw/zinc/04/57/19/982045719.db2.gz PPJOGTYDSJOSTD-COPCDDAFSA-N 2 2 367.537 2.987 20 30 FFEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001088631076 982045743 /nfs/dbraw/zinc/04/57/43/982045743.db2.gz PPJOGTYDSJOSTD-COPCDDAFSA-N 2 2 367.537 2.987 20 30 FFEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@H]1C ZINC001106291548 987868647 /nfs/dbraw/zinc/86/86/47/987868647.db2.gz CSCPYXFEOXSEDA-DJIMGWMZSA-N 2 2 352.910 2.907 20 30 FFEDLP C[C@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485727522 992004881 /nfs/dbraw/zinc/00/48/81/992004881.db2.gz XNOBVWJDLKSFGS-ATZDWAIDSA-N 2 2 368.456 2.579 20 30 FFEDLP C[C@H](CCC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485727522 992004886 /nfs/dbraw/zinc/00/48/86/992004886.db2.gz XNOBVWJDLKSFGS-ATZDWAIDSA-N 2 2 368.456 2.579 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1c1ccccc1 ZINC001081135261 993693365 /nfs/dbraw/zinc/69/33/65/993693365.db2.gz NLQYFGCIRMLGMT-HLAWJBBLSA-N 2 2 364.493 2.606 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001090872299 997540450 /nfs/dbraw/zinc/54/04/50/997540450.db2.gz IARAOCFPWJMLFR-VQTJNVASSA-N 2 2 368.481 2.511 20 30 FFEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1c1ccc(OC)cc1 ZINC001090872299 997540463 /nfs/dbraw/zinc/54/04/63/997540463.db2.gz IARAOCFPWJMLFR-VQTJNVASSA-N 2 2 368.481 2.511 20 30 FFEDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211483 1000199234 /nfs/dbraw/zinc/19/92/34/1000199234.db2.gz DPJJSRBSPIXIOR-SIKLNZKXSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+]([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211483 1000199236 /nfs/dbraw/zinc/19/92/36/1000199236.db2.gz DPJJSRBSPIXIOR-SIKLNZKXSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211483 1000199238 /nfs/dbraw/zinc/19/92/38/1000199238.db2.gz DPJJSRBSPIXIOR-SIKLNZKXSA-N 2 2 371.525 2.550 20 30 FFEDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171211483 1000199239 /nfs/dbraw/zinc/19/92/39/1000199239.db2.gz DPJJSRBSPIXIOR-SIKLNZKXSA-N 2 2 371.525 2.550 20 30 FFEDLP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183838942 1002407049 /nfs/dbraw/zinc/40/70/49/1002407049.db2.gz OEHUHRQNXADELA-NRFANRHFSA-N 2 2 368.525 2.903 20 30 FFEDLP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183838942 1002407052 /nfs/dbraw/zinc/40/70/52/1002407052.db2.gz OEHUHRQNXADELA-NRFANRHFSA-N 2 2 368.525 2.903 20 30 FFEDLP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183838943 1002407269 /nfs/dbraw/zinc/40/72/69/1002407269.db2.gz OEHUHRQNXADELA-OAQYLSRUSA-N 2 2 368.525 2.903 20 30 FFEDLP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183838943 1002407275 /nfs/dbraw/zinc/40/72/75/1002407275.db2.gz OEHUHRQNXADELA-OAQYLSRUSA-N 2 2 368.525 2.903 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001086609726 1003213365 /nfs/dbraw/zinc/21/33/65/1003213365.db2.gz VCROIXBVRMBCEB-ZYSHUDEJSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001086609726 1003213375 /nfs/dbraw/zinc/21/33/75/1003213375.db2.gz VCROIXBVRMBCEB-ZYSHUDEJSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609726 1003213385 /nfs/dbraw/zinc/21/33/85/1003213385.db2.gz VCROIXBVRMBCEB-ZYSHUDEJSA-N 2 2 361.917 2.665 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001086609726 1003213397 /nfs/dbraw/zinc/21/33/97/1003213397.db2.gz VCROIXBVRMBCEB-ZYSHUDEJSA-N 2 2 361.917 2.665 20 30 FFEDLP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1OC ZINC001198908405 1004790354 /nfs/dbraw/zinc/79/03/54/1004790354.db2.gz FITAXGOGUVNACW-KURKYZTESA-N 2 2 368.481 2.555 20 30 FFEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001489127250 1005416034 /nfs/dbraw/zinc/41/60/34/1005416034.db2.gz UQUMZIRQPROKKU-VQTJNVASSA-N 2 2 368.481 2.658 20 30 FFEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1CC ZINC001489127250 1005416036 /nfs/dbraw/zinc/41/60/36/1005416036.db2.gz UQUMZIRQPROKKU-VQTJNVASSA-N 2 2 368.481 2.658 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187979223 1006349058 /nfs/dbraw/zinc/34/90/58/1006349058.db2.gz XFRUPZQYXGJWMP-JENIJYKNSA-N 2 2 356.514 2.649 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001187979223 1006349066 /nfs/dbraw/zinc/34/90/66/1006349066.db2.gz XFRUPZQYXGJWMP-JENIJYKNSA-N 2 2 356.514 2.649 20 30 FFEDLP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188381599 1006538027 /nfs/dbraw/zinc/53/80/27/1006538027.db2.gz GNXAOPKHJMBFOM-CEXWTWQISA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001188381599 1006538036 /nfs/dbraw/zinc/53/80/36/1006538036.db2.gz GNXAOPKHJMBFOM-CEXWTWQISA-N 2 2 356.514 2.725 20 30 FFEDLP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)[nH+]c1C ZINC000886670117 1008807286 /nfs/dbraw/zinc/80/72/86/1008807286.db2.gz JRHOZPLYKRCZCB-INIZCTEOSA-N 2 2 357.502 2.937 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC001094559217 1011295958 /nfs/dbraw/zinc/29/59/58/1011295958.db2.gz HYMPGVCXQZRMKN-TZIWHRDSSA-N 2 2 365.481 2.818 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(-n4cc[nH+]c4)cn3)CCC[C@@H]12 ZINC001094559217 1011295975 /nfs/dbraw/zinc/29/59/75/1011295975.db2.gz HYMPGVCXQZRMKN-TZIWHRDSSA-N 2 2 365.481 2.818 20 30 FFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172310072 1011739823 /nfs/dbraw/zinc/73/98/23/1011739823.db2.gz WLFCCXVEXYATDW-MTNREXPMSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172310072 1011739841 /nfs/dbraw/zinc/73/98/41/1011739841.db2.gz WLFCCXVEXYATDW-MTNREXPMSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172310072 1011739849 /nfs/dbraw/zinc/73/98/49/1011739849.db2.gz WLFCCXVEXYATDW-MTNREXPMSA-N 2 2 363.509 2.677 20 30 FFEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001172310072 1011739863 /nfs/dbraw/zinc/73/98/63/1011739863.db2.gz WLFCCXVEXYATDW-MTNREXPMSA-N 2 2 363.509 2.677 20 30 FFEDLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C[C@H]1C#N ZINC001172971447 1012139290 /nfs/dbraw/zinc/13/92/90/1012139290.db2.gz PRLFIEAMZMEWNN-IRXDYDNUSA-N 2 2 350.507 2.744 20 30 FFEDLP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001041293775 1018766201 /nfs/dbraw/zinc/76/62/01/1018766201.db2.gz KRXCITYRNLCQEB-WOIUINJBSA-N 2 2 368.525 2.654 20 30 FFEDLP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C)C2)C1 ZINC001041293775 1018766212 /nfs/dbraw/zinc/76/62/12/1018766212.db2.gz KRXCITYRNLCQEB-WOIUINJBSA-N 2 2 368.525 2.654 20 30 FFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000801552181 1019103082 /nfs/dbraw/zinc/10/30/82/1019103082.db2.gz BGGQIHIAPZOVPB-UHFFFAOYSA-N 2 2 358.449 2.770 20 30 FFEDLP Cn1c[nH+]cc1CCCO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000902146305 1019901618 /nfs/dbraw/zinc/90/16/18/1019901618.db2.gz WSOQFEZTXYBVIO-UHFFFAOYSA-N 2 2 357.414 2.912 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365665421 1019942187 /nfs/dbraw/zinc/94/21/87/1019942187.db2.gz PEYKLMMSALFXRM-QZTJIDSGSA-N 2 2 365.481 2.935 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365665421 1019942189 /nfs/dbraw/zinc/94/21/89/1019942189.db2.gz PEYKLMMSALFXRM-QZTJIDSGSA-N 2 2 365.481 2.935 20 30 FFEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933843906 1021101179 /nfs/dbraw/zinc/10/11/79/1021101179.db2.gz HNTDGDYLRMDUAV-UHFFFAOYSA-N 2 2 369.513 2.925 20 30 FFEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000933843906 1021101181 /nfs/dbraw/zinc/10/11/81/1021101181.db2.gz HNTDGDYLRMDUAV-UHFFFAOYSA-N 2 2 369.513 2.925 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000749888219 1021108064 /nfs/dbraw/zinc/10/80/64/1021108064.db2.gz KNGQNDAJBKLROF-OAQYLSRUSA-N 2 2 364.493 2.703 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098936072 1021440058 /nfs/dbraw/zinc/44/00/58/1021440058.db2.gz XAIZCDBFIMHNKF-KXBFYZLASA-N 2 2 371.872 2.604 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001098936072 1021440068 /nfs/dbraw/zinc/44/00/68/1021440068.db2.gz XAIZCDBFIMHNKF-KXBFYZLASA-N 2 2 371.872 2.604 20 30 FFEDLP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111222005 1022465406 /nfs/dbraw/zinc/46/54/06/1022465406.db2.gz KQPLKPTYDWUCOX-UIXUWTQFSA-N 2 2 365.481 2.957 20 30 FFEDLP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-n3cc[nH+]c3)ccn1)C2 ZINC001111222005 1022465416 /nfs/dbraw/zinc/46/54/16/1022465416.db2.gz KQPLKPTYDWUCOX-UIXUWTQFSA-N 2 2 365.481 2.957 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271395 1022900822 /nfs/dbraw/zinc/90/08/22/1022900822.db2.gz QESOSMQOJODBOJ-FIYPYCPBSA-N 2 2 365.481 2.957 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)cn1)C2 ZINC001111271395 1022900832 /nfs/dbraw/zinc/90/08/32/1022900832.db2.gz QESOSMQOJODBOJ-FIYPYCPBSA-N 2 2 365.481 2.957 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001122530014 1023321842 /nfs/dbraw/zinc/32/18/42/1023321842.db2.gz VQSBRCWNMHXKIH-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC001122530014 1023321847 /nfs/dbraw/zinc/32/18/47/1023321847.db2.gz VQSBRCWNMHXKIH-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001122530014 1023321856 /nfs/dbraw/zinc/32/18/56/1023321856.db2.gz VQSBRCWNMHXKIH-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](C[NH+](C)CCC)C1 ZINC001122530014 1023321863 /nfs/dbraw/zinc/32/18/63/1023321863.db2.gz VQSBRCWNMHXKIH-ZWKOTPCHSA-N 2 2 360.550 2.789 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001122622670 1023375574 /nfs/dbraw/zinc/37/55/74/1023375574.db2.gz HPZNDJSGZSHSGN-SFHVURJKSA-N 2 2 358.534 2.543 20 30 FFEDLP C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001122622670 1023375585 /nfs/dbraw/zinc/37/55/85/1023375585.db2.gz HPZNDJSGZSHSGN-SFHVURJKSA-N 2 2 358.534 2.543 20 30 FFEDLP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001121791150 1024027510 /nfs/dbraw/zinc/02/75/10/1024027510.db2.gz ISLQSRAWZKGYLF-ATGASPGASA-N 2 2 356.514 2.895 20 30 FFEDLP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001102466768 1026015730 /nfs/dbraw/zinc/01/57/30/1026015730.db2.gz XARXIJFNXGFWBF-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001102466768 1026015749 /nfs/dbraw/zinc/01/57/49/1026015749.db2.gz XARXIJFNXGFWBF-QZTJIDSGSA-N 2 2 354.498 2.836 20 30 FFEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001102494332 1026123834 /nfs/dbraw/zinc/12/38/34/1026123834.db2.gz PLCOVJFGLSFDNG-FGTMMUONSA-N 2 2 367.497 2.920 20 30 FFEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](C)C1 ZINC001102494332 1026123844 /nfs/dbraw/zinc/12/38/44/1026123844.db2.gz PLCOVJFGLSFDNG-FGTMMUONSA-N 2 2 367.497 2.920 20 30 FFEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001103137141 1026994159 /nfs/dbraw/zinc/99/41/59/1026994159.db2.gz YWNYWGXGKHQEGL-CZUORRHYSA-N 2 2 352.910 2.753 20 30 FFEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001103137141 1026994165 /nfs/dbraw/zinc/99/41/65/1026994165.db2.gz YWNYWGXGKHQEGL-CZUORRHYSA-N 2 2 352.910 2.753 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001112171513 1030141443 /nfs/dbraw/zinc/14/14/43/1030141443.db2.gz MJWSIHLQSJDKPN-RRFJBIMHSA-N 2 2 358.408 2.779 20 30 FFEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1ccccc1F ZINC001205674522 1031926692 /nfs/dbraw/zinc/92/66/92/1031926692.db2.gz WLQNZGKEANXVKF-AZUAARDMSA-N 2 2 370.472 2.652 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853106 1033852847 /nfs/dbraw/zinc/85/28/47/1033852847.db2.gz FZQMCNCFVATEHL-QRVBRYPASA-N 2 2 364.534 2.602 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853106 1033852855 /nfs/dbraw/zinc/85/28/55/1033852855.db2.gz FZQMCNCFVATEHL-QRVBRYPASA-N 2 2 364.534 2.602 20 30 FFEDLP CCCCCCC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](O)C1 ZINC001220672780 1034328995 /nfs/dbraw/zinc/32/89/95/1034328995.db2.gz GGVKBNJHSTUEMG-UXHICEINSA-N 2 2 370.497 2.618 20 30 FFEDLP CCCCCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](O)C1 ZINC001220672780 1034329022 /nfs/dbraw/zinc/32/90/22/1034329022.db2.gz GGVKBNJHSTUEMG-UXHICEINSA-N 2 2 370.497 2.618 20 30 FFEDLP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001221652366 1034951944 /nfs/dbraw/zinc/95/19/44/1034951944.db2.gz OJKVHINRVKZFHA-NLWGTHIKSA-N 2 2 356.514 2.725 20 30 FFEDLP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001221652366 1034951950 /nfs/dbraw/zinc/95/19/50/1034951950.db2.gz OJKVHINRVKZFHA-NLWGTHIKSA-N 2 2 356.514 2.725 20 30 FFEDLP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3C#N)C[C@H]21)CC(C)(C)C ZINC001221816969 1035091386 /nfs/dbraw/zinc/09/13/86/1035091386.db2.gz HLVGXWBHWPCJJH-WOJBJXKFSA-N 2 2 368.525 2.569 20 30 FFEDLP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3C#N)C[C@H]21)CC(C)(C)C ZINC001221816969 1035091391 /nfs/dbraw/zinc/09/13/91/1035091391.db2.gz HLVGXWBHWPCJJH-WOJBJXKFSA-N 2 2 368.525 2.569 20 30 FFEDLP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3C#N)C[C@H]21)CC(C)(C)C ZINC001221816969 1035091397 /nfs/dbraw/zinc/09/13/97/1035091397.db2.gz HLVGXWBHWPCJJH-WOJBJXKFSA-N 2 2 368.525 2.569 20 30 FFEDLP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C[C@H]21)CC(C)(C)C ZINC001221816969 1035091402 /nfs/dbraw/zinc/09/14/02/1035091402.db2.gz HLVGXWBHWPCJJH-WOJBJXKFSA-N 2 2 368.525 2.569 20 30 FFEDLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001228851768 1036359776 /nfs/dbraw/zinc/35/97/76/1036359776.db2.gz CQSYKUVFXCGOHR-NSISKUIASA-N 2 2 365.481 2.923 20 30 FFEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229038419 1036470112 /nfs/dbraw/zinc/47/01/12/1036470112.db2.gz UQHMWDZKHYTXFS-CWFSZBLJSA-N 2 2 365.481 2.677 20 30 FFEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001229038419 1036470118 /nfs/dbraw/zinc/47/01/18/1036470118.db2.gz UQHMWDZKHYTXFS-CWFSZBLJSA-N 2 2 365.481 2.677 20 30 FFEDLP N#Cc1cccc(N2C[C@@]3(CC[N@@H+](C[C@H]([NH3+])Cc4ccccc4)C3)CC2=O)c1 ZINC001235632093 1037655022 /nfs/dbraw/zinc/65/50/22/1037655022.db2.gz IVYAKIVALKDGAA-OFNKIYASSA-N 2 2 374.488 2.557 20 30 FFEDLP N#Cc1cccc(N2C[C@@]3(CC[N@H+](C[C@H]([NH3+])Cc4ccccc4)C3)CC2=O)c1 ZINC001235632093 1037655028 /nfs/dbraw/zinc/65/50/28/1037655028.db2.gz IVYAKIVALKDGAA-OFNKIYASSA-N 2 2 374.488 2.557 20 30 FFEDLP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cnc(-c3cccnc3)o2)CC1 ZINC001232134271 1038190003 /nfs/dbraw/zinc/19/00/03/1038190003.db2.gz AGJXHXIUNQEPHE-UHFFFAOYSA-N 2 2 367.497 2.528 20 30 FFEDLP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1C#N)CC2 ZINC001278939371 1038528303 /nfs/dbraw/zinc/52/83/03/1038528303.db2.gz MCJOFLVMEYNJQA-UHFFFAOYSA-N 2 2 361.461 2.606 20 30 FFEDLP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1C#N)CC2 ZINC001278939371 1038528309 /nfs/dbraw/zinc/52/83/09/1038528309.db2.gz MCJOFLVMEYNJQA-UHFFFAOYSA-N 2 2 361.461 2.606 20 30 FFEDLP N#CC1(c2ccccc2-c2cncc(C[NH+]3CCOCC3)c2)CC[NH2+]CC1 ZINC001245251810 1038928909 /nfs/dbraw/zinc/92/89/09/1038928909.db2.gz VVCZNKDTGCALRT-UHFFFAOYSA-N 2 2 362.477 2.726 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246308406 1039308187 /nfs/dbraw/zinc/30/81/87/1039308187.db2.gz REUDWCILTCMQDZ-NRSPTQNISA-N 3 2 373.541 2.856 20 30 FFEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001246308406 1039308204 /nfs/dbraw/zinc/30/82/04/1039308204.db2.gz REUDWCILTCMQDZ-NRSPTQNISA-N 3 2 373.541 2.856 20 30 FFEDLP N#C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CCN1 ZINC001246431879 1039353396 /nfs/dbraw/zinc/35/33/96/1039353396.db2.gz WEAJTXAJDYFXST-HOTGVXAUSA-N 2 2 352.404 2.518 20 30 FFEDLP C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[NH2+]1 ZINC001246768811 1039473854 /nfs/dbraw/zinc/47/38/54/1039473854.db2.gz VGKHWPPENLBHFP-QIJUGHKUSA-N 2 2 368.525 2.618 20 30 FFEDLP C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)C[NH2+]1 ZINC001246768811 1039473863 /nfs/dbraw/zinc/47/38/63/1039473863.db2.gz VGKHWPPENLBHFP-QIJUGHKUSA-N 2 2 368.525 2.618 20 30 FFEDLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001253188059 1040031369 /nfs/dbraw/zinc/03/13/69/1040031369.db2.gz OHYSAPVNNQTPOP-MRXNPFEDSA-N 2 2 365.905 2.758 20 30 FFEDLP C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001262980624 1042006646 /nfs/dbraw/zinc/00/66/46/1042006646.db2.gz OSJWJPAMNRUEJM-ZWKOTPCHSA-N 2 2 371.533 2.827 20 30 FFEDLP C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001262980624 1042006651 /nfs/dbraw/zinc/00/66/51/1042006651.db2.gz OSJWJPAMNRUEJM-ZWKOTPCHSA-N 2 2 371.533 2.827 20 30 FFEDLP CCCCCCCCCCS(=O)(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001239160970 1044052398 /nfs/dbraw/zinc/05/23/98/1044052398.db2.gz IVSKYRYLUARCBQ-IBGZPJMESA-N 2 2 373.607 2.954 20 30 FFEDLP CN(C)/C=[NH+]/c1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)cc1C#N ZINC001241771153 1044595454 /nfs/dbraw/zinc/59/54/54/1044595454.db2.gz NNFAGFPHRQUIIM-BUVRLJJBSA-N 2 2 363.465 2.738 20 30 FFEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2CC)CC[NH+](Cc2ccccc2)CC1 ZINC001333016135 1048672939 /nfs/dbraw/zinc/67/29/39/1048672939.db2.gz WWKZQZMACNAKQW-NHCUHLMSSA-N 2 2 367.537 2.796 20 30 FFEDLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(C#N)cn2)c2c1OC(F)(F)O2 ZINC001334366401 1049391124 /nfs/dbraw/zinc/39/11/24/1049391124.db2.gz CRVJNVSKMLGNKL-UHFFFAOYSA-N 2 2 360.364 2.626 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001343552850 1052301713 /nfs/dbraw/zinc/30/17/13/1052301713.db2.gz DWCWHMGKLPRRKW-ZWKOTPCHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001343552850 1052301715 /nfs/dbraw/zinc/30/17/15/1052301715.db2.gz DWCWHMGKLPRRKW-ZWKOTPCHSA-N 2 2 358.534 2.686 20 30 FFEDLP C=CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1ccc(OC)cc1 ZINC001100159184 1055862159 /nfs/dbraw/zinc/86/21/59/1055862159.db2.gz ZURZDGVRLKAERL-RBUKOAKNSA-N 2 2 368.481 2.511 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001520305229 1059589542 /nfs/dbraw/zinc/58/95/42/1059589542.db2.gz JTXXYHLYEHSAQD-MANSERQUSA-N 2 2 372.561 2.787 20 30 FFEDLP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001520305229 1059589564 /nfs/dbraw/zinc/58/95/64/1059589564.db2.gz JTXXYHLYEHSAQD-MANSERQUSA-N 2 2 372.561 2.787 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001355968326 1060771144 /nfs/dbraw/zinc/77/11/44/1060771144.db2.gz SMKDCSBVPVWGQI-SFHVURJKSA-N 2 2 372.561 2.761 20 30 FFEDLP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001355968326 1060771156 /nfs/dbraw/zinc/77/11/56/1060771156.db2.gz SMKDCSBVPVWGQI-SFHVURJKSA-N 2 2 372.561 2.761 20 30 FFEDLP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001498559298 1063826430 /nfs/dbraw/zinc/82/64/30/1063826430.db2.gz CMSJSIHWASPGDK-QZTJIDSGSA-N 2 2 370.884 2.656 20 30 FFEDLP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001498559298 1063826441 /nfs/dbraw/zinc/82/64/41/1063826441.db2.gz CMSJSIHWASPGDK-QZTJIDSGSA-N 2 2 370.884 2.656 20 30 FFEDLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cc(C#N)n(C)c3)[nH+]c12 ZINC000276616259 256114781 /nfs/dbraw/zinc/11/47/81/256114781.db2.gz JXPCIZQPNPBDLI-UHFFFAOYSA-N 2 2 372.270 2.948 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)Cc3ccc(F)cc3)CC2)cc1 ZINC000375034592 512131629 /nfs/dbraw/zinc/13/16/29/512131629.db2.gz YROJBLVSKAGUJU-QFIPXVFZSA-N 2 2 367.468 2.855 20 30 FFEDLP C=CC[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000065959432 506400076 /nfs/dbraw/zinc/40/00/76/506400076.db2.gz FFSNHHJPMNDENH-UHFFFAOYSA-N 2 2 367.493 2.655 20 30 FFEDLP C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000065959432 506400084 /nfs/dbraw/zinc/40/00/84/506400084.db2.gz FFSNHHJPMNDENH-UHFFFAOYSA-N 2 2 367.493 2.655 20 30 FFEDLP C=C(C)COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)ccc1OC ZINC000067122181 506763530 /nfs/dbraw/zinc/76/35/30/506763530.db2.gz YYDUXQJFNSBMPK-IBGZPJMESA-N 2 2 362.514 2.833 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1OC ZINC000093147598 508125552 /nfs/dbraw/zinc/12/55/52/508125552.db2.gz UDTCULXCKPYQIH-HXUWFJFHSA-N 2 2 373.541 2.862 20 30 FFEDLP C=CCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1OC ZINC000093147598 508125553 /nfs/dbraw/zinc/12/55/53/508125553.db2.gz UDTCULXCKPYQIH-HXUWFJFHSA-N 2 2 373.541 2.862 20 30 FFEDLP C#CCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000113324086 508260485 /nfs/dbraw/zinc/26/04/85/508260485.db2.gz RLWHRNQCXZPBAY-UHFFFAOYSA-N 2 2 350.462 2.821 20 30 FFEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481000 508320217 /nfs/dbraw/zinc/32/02/17/508320217.db2.gz LYKBLQHITMWTPQ-UHFFFAOYSA-N 2 2 368.525 2.925 20 30 FFEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481000 508320218 /nfs/dbraw/zinc/32/02/18/508320218.db2.gz LYKBLQHITMWTPQ-UHFFFAOYSA-N 2 2 368.525 2.925 20 30 FFEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000114789918 508347128 /nfs/dbraw/zinc/34/71/28/508347128.db2.gz ZCAJSYBBKAQVIK-SFHVURJKSA-N 2 2 371.529 2.510 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000152995388 508538184 /nfs/dbraw/zinc/53/81/84/508538184.db2.gz LCLAISFFSXUWJN-AWEZNQCLSA-N 2 2 354.491 2.920 20 30 FFEDLP C=CCOCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124634057 508862516 /nfs/dbraw/zinc/86/25/16/508862516.db2.gz BMHKPGDWAVEMTL-PMACEKPBSA-N 2 2 365.562 2.765 20 30 FFEDLP C=CCOCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124634057 508862519 /nfs/dbraw/zinc/86/25/19/508862519.db2.gz BMHKPGDWAVEMTL-PMACEKPBSA-N 2 2 365.562 2.765 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000120753732 509058815 /nfs/dbraw/zinc/05/88/15/509058815.db2.gz OZEJCAAQYSQDLJ-HDICACEKSA-N 2 2 356.514 2.557 20 30 FFEDLP COc1cc(C#N)ccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000120753732 509058818 /nfs/dbraw/zinc/05/88/18/509058818.db2.gz OZEJCAAQYSQDLJ-HDICACEKSA-N 2 2 356.514 2.557 20 30 FFEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270191264 510709841 /nfs/dbraw/zinc/70/98/41/510709841.db2.gz CVMUXVGGDBDXEO-UHFFFAOYSA-N 2 2 360.461 2.886 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246855929 510711716 /nfs/dbraw/zinc/71/17/16/510711716.db2.gz KXOAJWXUSVVUAV-WSTZPKSXSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246855929 510711722 /nfs/dbraw/zinc/71/17/22/510711722.db2.gz KXOAJWXUSVVUAV-WSTZPKSXSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246855929 510711728 /nfs/dbraw/zinc/71/17/28/510711728.db2.gz KXOAJWXUSVVUAV-WSTZPKSXSA-N 2 2 354.498 2.738 20 30 FFEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246855929 510711732 /nfs/dbraw/zinc/71/17/32/510711732.db2.gz KXOAJWXUSVVUAV-WSTZPKSXSA-N 2 2 354.498 2.738 20 30 FFEDLP C#CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000270420186 510803411 /nfs/dbraw/zinc/80/34/11/510803411.db2.gz NBXPKJFIIIDNIJ-NRFANRHFSA-N 2 2 368.525 2.609 20 30 FFEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3cc4ccccc4n3)CC2)CC1 ZINC000330141757 510924667 /nfs/dbraw/zinc/92/46/67/510924667.db2.gz JSIMDLMTOPWAOG-UHFFFAOYSA-N 2 2 355.486 2.551 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@@H+]1C ZINC000278837576 511009107 /nfs/dbraw/zinc/00/91/07/511009107.db2.gz APOGKRAXAGBPDM-VQIMIIECSA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[N@H+]1C ZINC000278837576 511009112 /nfs/dbraw/zinc/00/91/12/511009112.db2.gz APOGKRAXAGBPDM-VQIMIIECSA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[NH+]1C ZINC000278837576 511009116 /nfs/dbraw/zinc/00/91/16/511009116.db2.gz APOGKRAXAGBPDM-VQIMIIECSA-N 2 2 352.486 2.773 20 30 FFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC[NH+]1C ZINC000278837576 511009119 /nfs/dbraw/zinc/00/91/19/511009119.db2.gz APOGKRAXAGBPDM-VQIMIIECSA-N 2 2 352.486 2.773 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)Cc3cccc(F)c3)CC2)cc1 ZINC000295109240 511285059 /nfs/dbraw/zinc/28/50/59/511285059.db2.gz LKSOYCSTONVTQJ-JOCHJYFZSA-N 2 2 367.468 2.855 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COC4(CCCC4)O3)CC2)cc1 ZINC000271841018 511344830 /nfs/dbraw/zinc/34/48/30/511344830.db2.gz GTFYIXCNQRJXCC-HXUWFJFHSA-N 2 2 355.482 2.798 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292862112 511749372 /nfs/dbraw/zinc/74/93/72/511749372.db2.gz CMZAZVDOPGVDAO-LIRRHRJNSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292862112 511749377 /nfs/dbraw/zinc/74/93/77/511749377.db2.gz CMZAZVDOPGVDAO-LIRRHRJNSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292862112 511749384 /nfs/dbraw/zinc/74/93/84/511749384.db2.gz CMZAZVDOPGVDAO-LIRRHRJNSA-N 2 2 360.889 2.956 20 30 FFEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292862112 511749390 /nfs/dbraw/zinc/74/93/90/511749390.db2.gz CMZAZVDOPGVDAO-LIRRHRJNSA-N 2 2 360.889 2.956 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)CC1 ZINC000328670360 511912521 /nfs/dbraw/zinc/91/25/21/511912521.db2.gz GKOUVKLKYWIELF-GOSISDBHSA-N 2 2 358.486 2.831 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)CC1 ZINC000328670360 511912529 /nfs/dbraw/zinc/91/25/29/511912529.db2.gz GKOUVKLKYWIELF-GOSISDBHSA-N 2 2 358.486 2.831 20 30 FFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000274788784 511941845 /nfs/dbraw/zinc/94/18/45/511941845.db2.gz BNDDCGSOYVAUPE-UWJYYQICSA-N 2 2 362.477 2.997 20 30 FFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000274788784 511941850 /nfs/dbraw/zinc/94/18/50/511941850.db2.gz BNDDCGSOYVAUPE-UWJYYQICSA-N 2 2 362.477 2.997 20 30 FFEDLP CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364175431 512001682 /nfs/dbraw/zinc/00/16/82/512001682.db2.gz IXFKGCSYKHEZMZ-GOSISDBHSA-N 2 2 372.538 2.543 20 30 FFEDLP CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364175431 512001689 /nfs/dbraw/zinc/00/16/89/512001689.db2.gz IXFKGCSYKHEZMZ-GOSISDBHSA-N 2 2 372.538 2.543 20 30 FFEDLP CC[C@@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC(=O)N1 ZINC000329693147 512087540 /nfs/dbraw/zinc/08/75/40/512087540.db2.gz WRFPBUURPSTTPE-HUUCEWRRSA-N 2 2 350.507 2.647 20 30 FFEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000329791999 512098099 /nfs/dbraw/zinc/09/80/99/512098099.db2.gz UWLYHQAPUOYCBX-UHFFFAOYSA-N 3 2 360.502 2.674 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000398013069 512952002 /nfs/dbraw/zinc/95/20/02/512952002.db2.gz DVFNTGYIKXEWJE-JRGCBEDISA-N 2 2 365.477 2.551 20 30 FFEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000398013069 512952005 /nfs/dbraw/zinc/95/20/05/512952005.db2.gz DVFNTGYIKXEWJE-JRGCBEDISA-N 2 2 365.477 2.551 20 30 FFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)CC1 ZINC000446828352 513346653 /nfs/dbraw/zinc/34/66/53/513346653.db2.gz ZSWCLUFRGAUCGH-FQEVSTJZSA-N 2 2 355.486 2.658 20 30 FFEDLP Cc1cc(C#N)cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000455959416 514865462 /nfs/dbraw/zinc/86/54/62/514865462.db2.gz UTICXTLMIJRRTP-YOFSQIOKSA-N 2 2 367.497 2.641 20 30 FFEDLP Cc1cc(C#N)cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000455959416 514865471 /nfs/dbraw/zinc/86/54/71/514865471.db2.gz UTICXTLMIJRRTP-YOFSQIOKSA-N 2 2 367.497 2.641 20 30 FFEDLP CN(CCC#N)C(=O)CC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000503183655 514947203 /nfs/dbraw/zinc/94/72/03/514947203.db2.gz UFTUIRIHTLCQAA-HXUWFJFHSA-N 2 2 370.541 2.811 20 30 FFEDLP CN(CCC#N)C(=O)CC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000503183655 514947214 /nfs/dbraw/zinc/94/72/14/514947214.db2.gz UFTUIRIHTLCQAA-HXUWFJFHSA-N 2 2 370.541 2.811 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481199147 515244478 /nfs/dbraw/zinc/24/44/78/515244478.db2.gz OTTHUBHXEIDREB-MXKPZRPRSA-N 2 2 370.541 2.930 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481199147 515244484 /nfs/dbraw/zinc/24/44/84/515244484.db2.gz OTTHUBHXEIDREB-MXKPZRPRSA-N 2 2 370.541 2.930 20 30 FFEDLP C=CCC1(CNC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCCC1 ZINC000459057888 515291281 /nfs/dbraw/zinc/29/12/81/515291281.db2.gz YZIQJGVLTOQACZ-SFHVURJKSA-N 2 2 362.562 2.933 20 30 FFEDLP C=CCC1(CNC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CCCC1 ZINC000459057888 515291295 /nfs/dbraw/zinc/29/12/95/515291295.db2.gz YZIQJGVLTOQACZ-SFHVURJKSA-N 2 2 362.562 2.933 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512456838 516284846 /nfs/dbraw/zinc/28/48/46/516284846.db2.gz PAWBMMKRXCWXMY-HSZRJFAPSA-N 2 2 360.505 2.950 20 30 FFEDLP N#Cc1cccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512456838 516284850 /nfs/dbraw/zinc/28/48/50/516284850.db2.gz PAWBMMKRXCWXMY-HSZRJFAPSA-N 2 2 360.505 2.950 20 30 FFEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000552029062 517036829 /nfs/dbraw/zinc/03/68/29/517036829.db2.gz AWGKGYZEZYCRSC-DUXKGJEZSA-N 2 2 365.477 2.723 20 30 FFEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000552029062 517036837 /nfs/dbraw/zinc/03/68/37/517036837.db2.gz AWGKGYZEZYCRSC-DUXKGJEZSA-N 2 2 365.477 2.723 20 30 FFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000537406344 517173582 /nfs/dbraw/zinc/17/35/82/517173582.db2.gz CUMVXARQEAWBTH-FQEVSTJZSA-N 2 2 363.461 2.952 20 30 FFEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000515060540 517195571 /nfs/dbraw/zinc/19/55/71/517195571.db2.gz QKXPPKNLGFHKTQ-FQEVSTJZSA-N 2 2 374.492 2.991 20 30 FFEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000515060540 517195573 /nfs/dbraw/zinc/19/55/73/517195573.db2.gz QKXPPKNLGFHKTQ-FQEVSTJZSA-N 2 2 374.492 2.991 20 30 FFEDLP C[NH+](C)CCCN(CCC#N)C(=O)CCn1c2ccccc2[nH+]c1C1CC1 ZINC000538744565 517760066 /nfs/dbraw/zinc/76/00/66/517760066.db2.gz YXXSPVYUJZNPDM-UHFFFAOYSA-N 2 2 367.497 2.998 20 30 FFEDLP COc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000527796876 517918707 /nfs/dbraw/zinc/91/87/07/517918707.db2.gz MBIPZZRTDAXVOR-UHFFFAOYSA-N 2 2 350.466 2.759 20 30 FFEDLP N#Cc1ccncc1N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000576212773 518483940 /nfs/dbraw/zinc/48/39/40/518483940.db2.gz CLDKPUPWBXYYDM-UHFFFAOYSA-N 2 2 350.451 2.523 20 30 FFEDLP Cc1nsc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1C#N ZINC000570607614 518689944 /nfs/dbraw/zinc/68/99/44/518689944.db2.gz YWZUCXYAQRDPJQ-UHFFFAOYSA-N 2 2 364.478 2.831 20 30 FFEDLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccccc1F ZINC000576907447 518820225 /nfs/dbraw/zinc/82/02/25/518820225.db2.gz GQVMKVSXBIVEIJ-UHFFFAOYSA-N 2 2 351.429 2.909 20 30 FFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000565924960 519198161 /nfs/dbraw/zinc/19/81/61/519198161.db2.gz ZCLIJVLALVHMJB-JXFKEZNVSA-N 2 2 358.486 2.676 20 30 FFEDLP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000571754127 519256867 /nfs/dbraw/zinc/25/68/67/519256867.db2.gz INBYSYMTMBPENX-IBGZPJMESA-N 3 2 356.514 2.644 20 30 FFEDLP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441405 519966090 /nfs/dbraw/zinc/96/60/90/519966090.db2.gz RNSHJVGYXMGWRQ-QAPCUYQASA-N 2 2 362.905 2.956 20 30 FFEDLP N#CC1(c2ccc(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594920354 520218019 /nfs/dbraw/zinc/21/80/19/520218019.db2.gz DYWBCMPVXCFGAT-QHCPKHFHSA-N 2 2 361.489 2.968 20 30 FFEDLP N#CC1(c2ccc(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000594920354 520218033 /nfs/dbraw/zinc/21/80/33/520218033.db2.gz DYWBCMPVXCFGAT-QHCPKHFHSA-N 2 2 361.489 2.968 20 30 FFEDLP CCc1ccc([C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)[NH+](C)C)cc1 ZINC000600713527 520415105 /nfs/dbraw/zinc/41/51/05/520415105.db2.gz BNKLHTSQKUAOHF-VQTJNVASSA-N 2 2 359.514 2.513 20 30 FFEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600718310 520420903 /nfs/dbraw/zinc/42/09/03/520420903.db2.gz PJGYAYTWPFOIFZ-GOSISDBHSA-N 2 2 364.449 2.636 20 30 FFEDLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[NH+](C)C ZINC000600732738 520432010 /nfs/dbraw/zinc/43/20/10/520432010.db2.gz FARABGMKGHDBCG-GGPKGHCWSA-N 2 2 359.514 2.647 20 30 FFEDLP N#Cc1ccc2[nH+]cc(CNc3ccc(C[NH+]4CCC(O)CC4)cc3)n2c1 ZINC000610909819 520901084 /nfs/dbraw/zinc/90/10/84/520901084.db2.gz SSFIKNZKMKIPQC-UHFFFAOYSA-N 2 2 361.449 2.775 20 30 FFEDLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc(F)c2C#N)c2ccccc2)CC1 ZINC000602000809 521069737 /nfs/dbraw/zinc/06/97/37/521069737.db2.gz KZUVUEQBLFIRAA-OAQYLSRUSA-N 2 2 352.457 2.776 20 30 FFEDLP COC(=O)C1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593695286 521162783 /nfs/dbraw/zinc/16/27/83/521162783.db2.gz JKIMRQPTPGGFHL-UHFFFAOYSA-N 2 2 355.482 2.844 20 30 FFEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619056326 521374815 /nfs/dbraw/zinc/37/48/15/521374815.db2.gz VEKRUWZRVNQFTF-KKSFZXQISA-N 2 2 371.529 2.842 20 30 FFEDLP C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000602544522 521404317 /nfs/dbraw/zinc/40/43/17/521404317.db2.gz KLGGQYRODUESNC-OAHLLOKOSA-N 2 2 353.445 2.695 20 30 FFEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@]12CCCO2 ZINC000602706498 521486876 /nfs/dbraw/zinc/48/68/76/521486876.db2.gz QHHZQINTUWQSKM-BHDDXSALSA-N 2 2 369.509 2.839 20 30 FFEDLP